SCHEMBL5205099

SCHEMBL5205099

Cc1ccnc(C=Cc2nn(C3CCCCO3)c3cc(Nc4ccccc4C(=O)O)ccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
MAPK8 P45983 5/20 0.37
AURKA O14965 5/20 0.37
AURKB Q96GD4 3/20 0.37
PIM1 P11309 2/20 0.34
GSK3B P49841 2/20 0.34
MAP4K4 O95819 1/20 0.34
CDK2 P24941 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
ATR Q13535 3/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPK10 P53779 4/20 0.33
MAPK9 P45984 2/20 0.33
CDC7 O00311 2/20 0.33
FGFR1 P11362 1/20 0.32

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
SCHEMBL5208752 0.93 KDM4E (0.39) KDRAURKADGAT2ATRPIK3C3
SCHEMBL5207371 0.90 KDR (0.39) KDRDGAT2ATRPIK3C3MAPK10
SCHEMBL5209198 0.90 DGAT2 (0.34) KDRMAPK8AURKAAURKBPIM1
SCHEMBL14527935 0.90 KDR (0.43) KDRAURKAAURKBDGAT2MAPK10
SCHEMBL5209155 0.90 KDR (0.53) KDRDGAT2PIK3C3MAPK10MAPK9
SCHEMBL5208093 0.88 KDR (0.42) KDRDGAT2ATRPIK3C3MAPK10
SCHEMBL5210223 0.88 KDR (0.45) KDRDGAT2PIK3C3MAPK10MAPK9
SCHEMBL5213440 0.87 KDR (0.44) KDRDGAT2MAPK10FGFR1
SCHEMBL6186147 0.87 KDR (0.41) KDRDGAT2PIK3C3MAPK10FGFR1
SCHEMBL6069803 0.86 MAPK8 (0.36) MAPK8AURKAAURKBPIM1GSK3B

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 88/4885MAPK8 257/4885AURKA 434/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885MAPK8 257/4885AURKA 434/4885

“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.