SCHEMBL2991658

SCHEMBL2991658

NC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2c[c]c(F)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK2A1 P68400 7/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
DYRK1A Q13627 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
ERBB2 P04626 3/20 0.42
CSF1R P07333 1/20 0.41
GRM1 Q13255 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL2989950 0.92 EGFR (0.47) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL25938 0.88 CSNK2A1 (0.45) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL26875 0.87 CSNK2A1 (0.49) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL26540 0.87 DYRK1A (0.44) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL26592 0.85 EGFR (0.44) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL24316 0.85 AURKA (0.43) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL2991831 0.85 DYRK1A (0.47) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL26636 0.85 EGFR (0.47) EGFRAURKARPS6KB1CSNK2A1DYRK1A
SCHEMBL24978 0.85 CSNK2A1 (0.43) EGFRAURKARPS6KB1CSNK2A1CSNK2A2
SCHEMBL2998232 0.84 EGFR (0.46) EGFRAURKARPS6KB1CSNK2A1CSNK2A2

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 10 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-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US disclosed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 EP 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 (3 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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA EGFR 47/4885AURKA 4045/4885RPS6KB1 912/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885AURKA 3680/4885RPS6KB1 1462/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885AURKA 92/4885RPS6KB1 902/4885

“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.