SCHEMBL9259

SCHEMBL9259

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CO1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.77
EPHB4 P54760 4/20 0.77
EPHA2 P29317 4/20 0.77
EGFR P00533 15/20 0.76
FBP1 P09467 2/20 0.76
AURKA O14965 1/20 0.76
ERBB2 P04626 1/20 0.76
INSR P06213 1/20 0.76
PDGFRB P09619 1/20 0.76
FLT4 P35916 1/20 0.76
CLK1 P49759 1/20 0.76
TEK Q02763 1/20 0.76
AURKB Q96GD4 1/20 0.76

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
SCHEMBL4531303 0.94 KDR (0.72) KDREPHB4EPHA2EGFRFBP1
SCHEMBL4359307 0.90 EPHA2 (0.85) KDREPHB4EPHA2EGFRFBP1
SCHEMBL4539126 0.90 EGFR (0.74) KDREPHB4EPHA2EGFRFBP1
SCHEMBL7814454 0.89 EPHB4 (0.68) KDREPHB4EPHA2EGFRFBP1
SCHEMBL7812296 0.89 EPHB4 (0.68) KDREPHB4EPHA2EGFRFBP1
SCHEMBL906997 0.87 EPHA2 (1.00) KDREPHB4EPHA2EGFRERBB2
SCHEMBL30505605 0.87 EGFR (1.00) KDREPHB4EGFRFBP1AURKA
SCHEMBL2099106 0.87 EGFR (1.00) KDREPHB4EGFRFBP1AURKA
Hydrochloric Acid SCHEMBL27887194 0.86 EGFR (0.98) KDREPHB4EGFRFBP1AURKA
SCHEMBL1225064 0.86 EPHA2 (0.87) KDREPHB4EPHA2ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 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 (2 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB KDR 860/4885EPHB4 3230/4885EPHA2 1802/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN KDR 1628/4885EPHB4 3424/4885EPHA2 2144/4885

“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.