SCHEMBL5208752

SCHEMBL5208752

COC(=O)c1ccccc1Nc1ccc2c(C=Cc3cc(C)ccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GLA P06280 1/20 0.39
KDR P35968 1/20 0.37
ATR Q13535 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
DGAT2 Q96PD7 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
AURKA O14965 1/20 0.33
MAPK10 P53779 4/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPK9 P45984 1/20 0.32
GRM4 Q14833 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
SCHEMBL5205099 0.93 KDR (0.38) KDRATRDGAT2AURKAMAPK10
SCHEMBL5210148 0.90 ALDH1A1 (0.37) KDM4EGLAKDRATRSMN1; SMN2
SCHEMBL5207371 0.89 KDR (0.39) KDRATRDGAT2MAPK10PIK3C3
SCHEMBL14527935 0.88 KDR (0.43) KDM4EKDRALDH1A1DGAT2AURKA
SCHEMBL5209155 0.88 KDR (0.53) KDRDGAT2MAPK10PIK3C3MAPK9
SCHEMBL5208093 0.87 KDR (0.42) KDRATRDGAT2MAPK10PIK3C3
SCHEMBL5210223 0.87 KDR (0.45) KDRDGAT2MAPK10PIK3C3MAPK9
SCHEMBL6070080 0.87 KDM4E (0.38) KDM4EGLAATRSMN1; SMN2ALDH1A1
SCHEMBL5213440 0.86 KDR (0.44) KDRDGAT2MAPK10GRM4
SCHEMBL6186147 0.86 KDR (0.41) KDRDGAT2MAPK10PIK3C3GRM4

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 KDM4E 2405/4885GLA 1859/4885KDR 88/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDM4E 2405/4885GLA 1859/4885KDR 88/4885

“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.