SCHEMBL5206522

SCHEMBL5206522

COC(=O)c1ccccc1Nc1ccc2c(C#Cc3ccccn3)nn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 1/20 0.34
NPC1 O15118 1/20 0.34
AURKA O14965 1/20 0.33
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
CFTR P13569 1/20 0.33
GRM4 Q14833 3/20 0.33
PTK2 Q05397 2/20 0.32
HPGD P15428 1/20 0.32
GLA P06280 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
SCHEMBL5206396 0.93 CTSV (0.36) MAPTALDH1A1KDM4EHSD17B10KDR
SCHEMBL5241802 0.78 POLB (0.34) NPC1
SCHEMBL5206033 0.76 CNR2 (0.36) ALDH1A1
SCHEMBL5207031 0.76 MAPT (0.36) ALOX15MAPTALDH1A1KDM4EHSD17B10
SCHEMBL5207035 0.76 MAPT (0.36) ALOX15MAPTALDH1A1KDM4EHSD17B10
SCHEMBL5249546 0.74 KDR (0.49) MAPTKDRAURKAMAPK10
SCHEMBL5249540 0.74 KDR (0.49) MAPTKDRAURKAMAPK10
SCHEMBL5207161 0.70 CTSV (0.36) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL5207166 0.69 CTSV (0.35) MAPTALDH1A1KDM4EHSD17B10KDR
SCHEMBL5240257 0.67 KDR (0.33) KDRNPC1

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 ALOX15 2252/4885MAPT 921/4885ALDH1A1 2794/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 ALOX15 2252/4885MAPT 921/4885ALDH1A1 2794/4885

“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.