SCHEMBL5210380

SCHEMBL5210380

O=C(NCC#CC1CC1)c1ccccc1Nc1ccc2c(C=Nn3cccc3)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.51
ALK Q9UM73 2/20 0.36
FGFR1 P11362 2/20 0.35
MAPK8 P45983 6/20 0.35
MAPK10 P53779 6/20 0.35
MAPK14 Q16539 6/20 0.35
PTGS2 P35354 3/20 0.33
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL5210225 0.89 KDR (0.54) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5205632 0.87 KDR (0.66) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5210372 0.82 KDR (0.46) KDRALKMAPK8MAPK10MAPK14
SCHEMBL5211172 0.81 KDR (0.46) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5205340 0.80 KDR (0.34) KDR
SCHEMBL5212977 0.79 KDR (0.46) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5208847 0.70 KDR (0.82) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5210216 0.70 KDR (0.49) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5208858 0.70 KDR (0.82) KDRALKFGFR1MAPK8MAPK10
SCHEMBL5211081 0.70 KDR (0.54) KDRALKFGFR1MAPK8MAPK10

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 88/4885ALK 862/4885FGFR1 315/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885ALK 862/4885FGFR1 315/4885

“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.