SCHEMBL5206033

SCHEMBL5206033

C[Si](C)(C)CCOCn1nc(C#Cc2ccccn2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.36
ACHE P22303 4/20 0.36
CNR1 P21554 4/20 0.36
POLB P06746 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
CTRB1 P17538 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
MEN1 O00255 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL5241802 0.84 POLB (0.34) CNR2ACHECNR1POLBPTPN7
SCHEMBL30861041 0.82 ELANE (0.40) CNR2ACHECNR1KMT2AALDH1A1
SCHEMBL3707526 0.82 ELANE (0.40) CNR2ACHECNR1KMT2AALDH1A1
Pyridine SCHEMBL5206041 0.82 CNR2 (0.35) CNR2ACHECNR1F2PLAU
SCHEMBL3513839 0.80 CNR2 (0.42) CNR2ACHECNR1KMT2AF2
SCHEMBL27228071 0.77 CNR2 (0.39) CNR2ACHECNR1POLBKMT2A
SCHEMBL2144860 0.77 CNR2 (0.39) CNR2ACHECNR1POLBKMT2A
SCHEMBL5206396 0.77 CTSV (0.36) KMT2AALDH1A1MEN1
SCHEMBL30284921 0.77 CNR2 (0.38) CNR2ACHECNR1POLBKMT2A
SCHEMBL2144335 0.77 CNR2 (0.38) CNR2ACHECNR1POLBKMT2A

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 CNR2 1148/4885ACHE 2107/4885CNR1 1606/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 CNR2 1148/4885ACHE 2107/4885CNR1 1606/4885

“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.