SCHEMBL5515428

SCHEMBL5515428

COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.66
CHEK1 O14757 3/20 0.63
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 1/20 0.62
PKM P14618 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FGFR1 P11362 2/20 0.60
FLT1 P17948 1/20 0.60
GAPDH P04406 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
FLT3 P36888 1/20 0.55
CDK4 P11802 5/20 0.55
CCNA2 P20248 5/20 0.55
CCND1 P24385 5/20 0.55
CDK2 P24941 5/20 0.55
CCND3 P30281 5/20 0.55
JAK2 O60674 2/20 0.55

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
SCHEMBL5517944 0.91 PDPK1 (0.67) PDPK1CHEK1KDM4ENPC1ALDH1A1
SCHEMBL5951869 0.91 FGFR1 (0.60) PDPK1CHEK1KDM4ENPC1ALDH1A1
SCHEMBL5508118 0.88 PDPK1 (0.74) PDPK1CHEK1KDM4ENPC1ALDH1A1
SCHEMBL3533024 0.85 PDPK1 (0.73) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL5513046 0.84 CDK4 (0.67) PDPK1CHEK1FGFR1FLT1CDK4
SCHEMBL4919287 0.83 FGFR1 (0.66) PDPK1CHEK1KDM4ENPC1ALDH1A1
SCHEMBL3542538 0.83 FGFR1 (0.66) PDPK1CHEK1KDM4ENPC1ALDH1A1
SCHEMBL5250638 0.82 CDK4 (0.71) PDPK1CHEK1FGFR1FLT1CDK4
SCHEMBL5952893 0.82 FGFR1 (0.57) PDPK1CHEK1KDM4EFGFR1FLT1
SCHEMBL5508107 0.81 CDK4 (0.60) PDPK1CHEK1FGFR1FLT1CDK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 PDPK1 13/4885CHEK1 369/4885KDM4E 2501/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 PDPK1 13/4885CHEK1 369/4885KDM4E 2501/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 PDPK1 13/4885CHEK1 369/4885KDM4E 2501/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 PDPK1 133/4885CHEK1 142/4885KDM4E 2084/4885

“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.