SCHEMBL2993744

SCHEMBL2993744

CN(C)c1ncnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.53
CYP1A2 P05177 7/20 0.52
CYP3A4 P08684 7/20 0.52
CLK4 Q9HAZ1 7/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 6/20 0.52
MAPK1 P28482 6/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
EGFR P00533 2/20 0.52
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
BRAF P15056 1/20 0.50
TNNI3K Q59H18 1/20 0.50
ALK Q9UM73 1/20 0.50
CYP2C9 P11712 3/20 0.49

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
SCHEMBL7681292 0.78 KDR (0.49) IRAK4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4586983 0.78 EGFR (0.55) IRAK4MEN1KMT2AEGFRKDR
SCHEMBL2986361 0.77 ACHE (0.47) CYP3A4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28813506 0.76 EGFR (0.56) IRAK4CYP3A4ALDH1A1MAPK1MEN1
SCHEMBL155127 0.76 EGFR (0.56) IRAK4CYP3A4ALDH1A1HSD17B10MEN1
SCHEMBL6986627 0.76 EGFR (0.56) IRAK4CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1192812 0.76 ALK (0.60) IRAK4CYP3A4ALDH1A1MAPK1MEN1
SCHEMBL6594656 0.76 ALDH1A1 (0.41) CYP3A4ALDH1A1LMNAMEN1KMT2A
SCHEMBL3960657 0.76 EGFR (0.67) ALDH1A1MAPK1MEN1KMT2AEGFR
SCHEMBL11851979 0.75 KDR (0.46) IRAK4ALDH1A1MEN1KMT2AEGFR

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
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

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 IRAK4 297/4885CYP1A2 2106/4885CYP3A4 2603/4885

“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.