SCHEMBL2998447

SCHEMBL2998447

CN(C)c1ncnc2ccc(N)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.68
CYP1A2 P05177 14/20 0.59
CYP3A4 P08684 13/20 0.59
CLK4 Q9HAZ1 12/20 0.59
ALDH1A1 P00352 10/20 0.59
LMNA P02545 9/20 0.59
MAPK1 P28482 8/20 0.59
HSD17B10 Q99714 3/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2D6 P10635 8/20 0.54
CYP2C19 P33261 7/20 0.54
TSHR P16473 7/20 0.54
CYP2C9 P11712 3/20 0.54
HIF1A Q16665 4/20 0.52
USP2 O75604 3/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL3112161 0.81 EGFR (1.00) EGFRCSF1R
SCHEMBL31031351 0.80 CYP1A2 (0.61) EGFRCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4357581 0.79 ALDH1A1 (0.69) CYP1A2CYP3A4CLK4ALDH1A1LMNA
SCHEMBL25844376 0.79 CYP1A2 (0.59) EGFRCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL6598291 0.79 CYP1A2 (0.59) EGFRCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4692556 0.75 MAP4K4 (0.66) EGFR
SCHEMBL29713890 0.75 MAP4K4 (0.66) EGFR
SCHEMBL31031354 0.75 CYP1A2 (0.55) EGFRCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL2880252 0.75 CYP1A2 (0.55) EGFRCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL7679077 0.74 EGFR (0.51) EGFRCYP1A2CYP3A4CLK4ALDH1A1

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
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 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
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO 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 EGFR 26/4885CYP1A2 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.