SCHEMBL5252014

SCHEMBL5252014

CNC(=O)c1cccc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
GAA P10253 2/20 0.50
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
CFTR P13569 1/20 0.46
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
NSD2 O96028 2/20 0.42
MAPT P10636 1/20 0.42
MMP2 P08253 1/20 0.42
PDK2 Q15119 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MTNR1A P48039 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41

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
SCHEMBL375579 0.83 ALDH1A1 (0.59) PLK1GAAALDH1A1HSD17B10CFTR
SCHEMBL31038153 0.82 PLK1 (0.50) PLK1GAAALDH1A1HSD17B10KDM4E
SCHEMBL635088 0.82 PLK1 (0.50) PLK1GAAALDH1A1HSD17B10KDM4E
SCHEMBL465699 0.82 G6PD (0.55) PLK1GAAALDH1A1HSD17B10KDM4E
SCHEMBL2299529 0.82 PLK1 (0.50) PLK1GAAALDH1A1HSD17B10CFTR
SCHEMBL12260753 0.82 MMP2 (0.60) PLK1GAAALDH1A1HSD17B10CFTR
SCHEMBL28089985 0.82 PLK1 (0.50) PLK1GAAALDH1A1HSD17B10KDM4E
SCHEMBL7986621 0.82 CTSD (0.47) GAAALDH1A1HSD17B10CFTRKDM4E
SCHEMBL11293418 0.82 KDM4E (0.50) GAAALDH1A1HSD17B10CFTRKDM4E
Hydrochloric Acid SCHEMBL27744263 0.82 ALDH1A1 (0.57) PLK1GAAALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614683-B1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMA (US) 2007-11-21 EP disclosed
EP-1218348-B1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2007-10-24 EP 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-7141587-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1614683-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
CN-1234693-C Indazol compound for inhibiting protein kinase and medicine composition and their application AGOURON PHARMA (US) 2006-01-04 CN disclosed
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS. INC. 2005-06-09 US disclosed
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
CN-1495171-A Indazol compound for inhibiting protein kinase and medicine composition and their application ������ҩ�����޹�˾ 2004-05-12 CN disclosed
CN-1137884-C Indazole compounds and pharmaceutical compositions that inhibit protein kinases and methods of use thereof ������ҩ�����޹�˾ 2004-02-11 CN disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
CN-1374950-A Indazole compounds and pharmaceutical compositions for inhibiting protein kinases and their use AGOURON PHARMACETUICALS INC (US) 2002-10-16 CN disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
CN-1063460-C Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 2001-03-21 CN disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO 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 (3 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 PLK1 113/4885GAA 2420/4885ALDH1A1 2836/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 PLK1 113/4885GAA 2420/4885ALDH1A1 2836/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 PLK1 113/4885GAA 2420/4885ALDH1A1 2836/4885

“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.