SCHEMBL8309272

SCHEMBL8309272

Cc1cc(Nc2ncnc3ccc(N)cc23)ccc1OCc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.76
ERBB2 P04626 12/20 0.76
LCK P06239 1/20 0.60
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
ERBB4 Q15303 2/20 0.51
ERBB3 P21860 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
RET P07949 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4560407 0.90 EGFR (0.76) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL8307102 0.90 EGFR (0.76) EGFRERBB2LCKAURKARPS6KB1
Hydrochloric Acid SCHEMBL6185804 0.89 EGFR (0.75) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL2989878 0.88 ERBB2 (0.73) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL5126379 0.87 EGFR (0.85) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL6104477 0.87 EGFR (0.58) EGFRERBB2LCKLMNAMAPT
SCHEMBL8306859 0.87 EGFR (1.00) EGFRERBB2LCKERBB4ABCG2
SCHEMBL12094784 0.86 EGFR (0.60) EGFRERBB2ERBB4LMNAMAPT
SCHEMBL4868184 0.86 EGFR (0.74) EGFRERBB2LCKAURKARPS6KB1
Hydrochloric Acid SCHEMBL8309362 0.86 EGFR (0.98) EGFRERBB2LCKERBB4ABCG2

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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES ABL1, MAP3K7, MAP3K5 EGFR 616/4885ERBB2 199/4885LCK 93/4885
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L EGFR 3299/4885ERBB2 851/4885LCK 1153/4885

“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.