SCHEMBL2986361

SCHEMBL2986361

CN(C)c1nc(N)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
OPRK1 P41145 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
DHFR P00374 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL3974935 0.80 ACHE (0.52) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL6593674 0.80 KMT2A (0.52) ALDH1A1TDP1CYP3A4KMT2AOPRK1
SCHEMBL9587346 0.78 TDP1 (0.52) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL9588295 0.77 ACHE (0.47) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL9587522 0.77 ABCG2 (0.48) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL8471116 0.77 ACHE (0.47) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL2993744 0.77 IRAK4 (0.53) ALDH1A1CYP3A4TSHRKMT2AL3MBTL1
SCHEMBL938122 0.74 KCNH2 (0.43) ACHE
SCHEMBL4355768 0.74 ADORA2A (0.48) ACHEALDH1A1
SCHEMBL6594378 0.74 MAPT (0.46) ALDH1A1TDP1CYP3A4TSHRKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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 (1 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK ACHE 3631/4885ALDH1A1 2889/4885TDP1 793/4885

“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.