SCHEMBL5210274

SCHEMBL5210274

C#CCNC(=O)c1ccccc1Nc1ccc2c(C=Cc3cc(C)cc(C)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
INSR P06213 1/20 0.35
MET P08581 1/20 0.35
DGAT2 Q96PD7 1/20 0.33
VCP P55072 2/20 0.33
RCE1 Q9Y256 1/20 0.32
FGFR1 P11362 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
POLR1A O95602 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL5210824 0.92 KDR (0.40) KDRDGAT2RCE1FGFR1NPC1
SCHEMBL5204727 0.91 KDR (0.38) KDRDGAT2RCE1FGFR1
SCHEMBL5209155 0.91 KDR (0.53) KDRINSRMETDGAT2VCP
SCHEMBL5209198 0.90 DGAT2 (0.34) KDRDGAT2ALDH1A1HCRTR1HCRTR2
SCHEMBL5208432 0.89 KDR (0.37) KDRDGAT2
SCHEMBL5210148 0.88 ALDH1A1 (0.37) KDRDGAT2ALDH1A1HCRTR1HCRTR2
SCHEMBL5213671 0.87 KDR (0.37) KDR
SCHEMBL6185649 0.86 KDR (0.51) KDRINSRMETDGAT2VCP
SCHEMBL5210223 0.84 KDR (0.45) KDRDGAT2RCE1FGFR1
SCHEMBL5212558 0.84 KDR (0.35) KDRDGAT2ALDH1A1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 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 (2 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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885INSR 181/4885MET 734/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885INSR 181/4885MET 734/4885

“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.