SCHEMBL5508952

SCHEMBL5508952

c1ccc2c(-c3ccc4[nH]nc(-c5nc6c(CCN7CCCC7)cccc6[nH]5)c4c3)cncc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.51
ERBB2 P04626 3/20 0.51
DYRK1A Q13627 8/20 0.49
GSK3B P49841 6/20 0.49
WNT1 P04628 5/20 0.49
KDR P35968 4/20 0.49
TGFBR1 P36897 2/20 0.47
RET P07949 1/20 0.46
CLK2 P49760 3/20 0.46
CLK3 P49761 3/20 0.46
MAP3K8 P41279 1/20 0.45

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
SCHEMBL5519632 0.92 CDK1 (0.52) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5994987 0.86 CDK1 (0.60) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5517513 0.86 CDK1 (0.66) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL14493339 0.84 CDK1 (0.53) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5511805 0.82 CDK1 (0.57) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5519983 0.82 CDK1 (0.57) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5516461 0.82 CDK1 (0.70) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL4035840 0.81 CDK1 (0.56) CDK1ERBB2WNT1KDRTGFBR1
SCHEMBL5510145 0.81 CDK1 (0.53) CDK1ERBB2DYRK1AGSK3BWNT1
SCHEMBL5518822 0.81 MAP3K8 (0.65) CDK1DYRK1AKDRCLK2CLK3

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 17 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
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-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 (8 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 381/4885DYRK1A 432/4885
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK1 9/4885ERBB2 391/4885DYRK1A 806/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK1 9/4885ERBB2 391/4885DYRK1A 806/4885
US-10183929-B2 3-(benzoimidazol-2-yl)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885DYRK1A 432/4885
US-20140194441-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885DYRK1A 432/4885
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885DYRK1A 432/4885
US-20180162840-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CDK1 113/4885ERBB2 381/4885DYRK1A 432/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CDK1 11/4885ERBB2 675/4885DYRK1A 2097/4885

“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.