SCHEMBL5519632

SCHEMBL5519632

c1ccc2c(-c3ccc4[nH]nc(-c5nc6c(CN7CCCC7)cccc6[nH]5)c4c3)cncc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.52
ERBB2 P04626 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
GRIN2B Q13224 1/20 0.52
WNT1 P04628 6/20 0.51
TGFBR1 P36897 4/20 0.51
KDR P35968 4/20 0.51
DYRK1A Q13627 6/20 0.50
CLK2 P49760 2/20 0.50
CLK3 P49761 2/20 0.50
MAP3K8 P41279 1/20 0.49
GSK3B P49841 5/20 0.49
RET P07949 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5508952 0.92 CDK1 (0.51) CDK1ERBB2WNT1TGFBR1KDR
SCHEMBL4035840 0.89 CDK1 (0.56) CDK1ERBB2CYP1A2CYP2D6GRIN2B
SCHEMBL4043445 0.88 CDK1 (0.55) CDK1ERBB2CYP1A2CYP2D6GRIN2B
SCHEMBL5517513 0.88 CDK1 (0.66) CDK1ERBB2WNT1KDRDYRK1A
SCHEMBL5510145 0.86 CDK1 (0.53) CDK1ERBB2WNT1KDRDYRK1A
SCHEMBL5519983 0.85 CDK1 (0.57) CDK1ERBB2WNT1KDRDYRK1A
SCHEMBL5516461 0.85 CDK1 (0.70) CDK1ERBB2WNT1KDRDYRK1A
SCHEMBL5994987 0.84 CDK1 (0.60) CDK1ERBB2WNT1KDRDYRK1A
SCHEMBL5518822 0.84 MAP3K8 (0.65) CDK1KDRDYRK1ACLK2CLK3
SCHEMBL5511805 0.83 CDK1 (0.57) CDK1ERBB2WNT1TGFBR1KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-11-21 US disclosed
US-10183929-B2 3-(benzoimidazol-2-yl)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2019-01-22 US disclosed
US-20180162840-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-06-14 US disclosed
US-20180162840-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-06-14 US disclosed
US-9908867-B2 3-(benzoimidazol-2-yl)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2018-03-06 US disclosed
US-9908867-B2 3-(benzoimidazol-2-yl)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2018-03-06 US disclosed
WO-2014110086-A2 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2014-07-17 WO disclosed
US-20140194441-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2014-07-10 US disclosed
US-20140194441-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2014-07-10 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885CYP1A2 1462/4885
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK1 9/4885ERBB2 391/4885CYP1A2 1243/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK1 9/4885ERBB2 391/4885CYP1A2 1243/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK1 9/4885ERBB2 391/4885CYP1A2 1243/4885
US-10183929-B2 3-(benzoimidazol-2-yl)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885CYP1A2 1462/4885
US-20140194441-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885CYP1A2 1462/4885
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885CYP1A2 1462/4885
US-20180162840-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885CYP1A2 1462/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CDK1 11/4885ERBB2 675/4885CYP1A2 123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.