SCHEMBL2992756

SCHEMBL2992756

O=[N+]([O-])c1cccc2c1sc1c(Cl)ncnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 2/20 0.40
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NOS1 P29475 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS2 P35228 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL2098010 0.79 ALDH1A1 (0.62) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL5251578 0.76 EGFR (0.43) EGFRKMT2AALDH1A1MEN1TDP1
SCHEMBL2988437 0.73 EGFR (0.98) EGFR
SCHEMBL7216819 0.71 EGFR (0.61) EGFRALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL27244271 0.71 AXL (0.37) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL8392625 0.70 TDP1 (0.50) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL7215827 0.69 LIMK1 (0.65) EGFRPOLBNCOA3SMN1; SMN2LMNA
SCHEMBL30093319 0.67 CLK1 (0.67) EGFRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16398902 0.67 ALDH1A1 (0.54) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL3293261 0.67 MEN1 (0.58) KMT2AALDH1A1MEN1TDP1KDM4E

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 EGFR 26/4885KMT2A 1211/4885ALDH1A1 2889/4885

“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.