SCHEMBL5209461

SCHEMBL5209461

C#CCNC(=O)c1ccccc1Nc1ccc2c(C(=O)NC)n[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.66
PAK1 Q13153 2/20 0.49
YTHDC1 Q96MU7 1/20 0.49
FLT3 P36888 2/20 0.44
ALK Q9UM73 2/20 0.44
MAPK8 P45983 6/20 0.43
MAPK10 P53779 6/20 0.43
MAPK14 Q16539 6/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.39
EPHB3 P54753 1/20 0.39
MAP2K7 O14733 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL5205626 0.85 KDR (0.60) KDRPAK1ALKMAPK8MAPK10
SCHEMBL5205415 0.79 KDR (1.00) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5205402 0.79 KDR (1.00) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5205632 0.79 KDR (0.66) KDRALKMAPK8MAPK10MAPK14
SCHEMBL5207871 0.77 KDR (0.85) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5207861 0.77 KDR (0.85) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5211843 0.76 KDR (0.77) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5210018 0.76 KDR (0.77) KDRFLT3ALKMAPK8MAPK10
SCHEMBL14528045 0.75 KDR (0.81) KDRFLT3ALKMAPK8MAPK10
SCHEMBL5210216 0.75 KDR (0.49) KDRPAK1FLT3ALKMAPK8

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 88/4885PAK1 341/4885YTHDC1 4871/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885PAK1 341/4885YTHDC1 4871/4885

“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.