SCHEMBL3604713

SCHEMBL3604713

N#Cc1cnc2ccc(N)cc2c1Nc1ccc(OCc2ccccn2)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 8/20 0.70
STK4 Q13043 6/20 0.70
EGFR P00533 10/20 0.61
ERBB2 P04626 6/20 0.60
SRC P12931 2/20 0.60
KDR P35968 2/20 0.60
MAP3K8 P41279 2/20 0.60
BTK Q06187 2/20 0.59
STK25 O00506 1/20 0.59
MAP2K7 O14733 1/20 0.59
CHEK1 O14757 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
MAP3K13 O43283 1/20 0.59
NUAK1 O60285 1/20 0.59
STK17B O94768 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59

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
SCHEMBL13185141 0.88 STK3 (0.55) STK3STK4EGFRERBB2SRC
SCHEMBL2950042 0.87 STK3 (0.74) STK3STK4EGFRERBB2SRC
SCHEMBL10014324 0.87 STK3 (0.72) STK3STK4EGFRERBB2SRC
SCHEMBL2130155 0.86 STK3 (0.82) STK3STK4EGFRERBB2SRC
SCHEMBL29374344 0.86 STK3 (0.82) STK3STK4EGFRERBB2SRC
Hydrochloric Acid SCHEMBL4962632 0.85 STK3 (0.81) STK3STK4EGFRERBB2SRC
SCHEMBL23409103 0.84 STK3 (0.85) STK3STK4EGFRERBB2SRC
SCHEMBL15320513 0.84 EGFR (0.78) STK3STK4EGFRERBB2SRC
SCHEMBL2131705 0.84 STK3 (0.69) STK3STK4EGFRERBB2SRC
SCHEMBL3605026 0.83 EGFR (0.70) EGFRERBB2MAP3K8ERBB3ERBB4

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-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
US-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 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 (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 STK3 290/4885STK4 237/4885EGFR 616/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 STK3 90/4885STK4 73/4885EGFR 621/4885

“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.