SCHEMBL2980655

SCHEMBL2980655

Cc1cc(Nc2ncnc3ccc(C=CCNC(=O)OC(C)(C)C)cc23)ccc1Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.63
EGFR P00533 9/20 0.63
FECH P22830 1/20 0.63
CDK8 P49336 1/20 0.63
MAP2K5 Q13163 1/20 0.63
CDK19 Q9BWU1 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
AURKB Q96GD4 3/20 0.49
RAF1 P04049 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAP2K1 Q02750 1/20 0.49
JAK3 P52333 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL2980652 1.00 ERBB2 (0.63) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174260 0.90 ERBB2 (0.78) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174252 0.90 ERBB2 (0.78) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174099 0.84 ERBB2 (0.70) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174092 0.84 ERBB2 (0.70) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617369 0.83 EGFR (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617364 0.83 EGFR (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL2981258 0.81 ERBB2 (0.49) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177828 0.81 ERBB2 (0.69) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177836 0.81 ERBB2 (0.69) ERBB2EGFRFECHCDK8MAP2K5

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-7777032-B2 N-4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-N6-(3-ethyl-oxazolidin-2-ylidene)-quinazoline-4,6-diamine; use as type I receptor tyrosine kinase inhibitor; hyperproliferation diseases such as cancer; antiinflammatory agents ARRAY BIOPHARMA INC. (US) 2010-08-17 US disclosed
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-10-29 US disclosed
US-7585975-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2009-09-08 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ARRAY BIOPHARM, INC. (US) 2008-08-14 US disclosed
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 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 (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-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ABL1, ERBB2, FLT3 ERBB2 2/4885EGFR 8/4885FECH 4456/4885
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ABL1, ERBB2, FLT3 ERBB2 2/4885EGFR 8/4885FECH 4456/4885
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 ERBB2 2/4885EGFR 8/4885FECH 4456/4885

“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.