SCHEMBL15430974

SCHEMBL15430974

OB(O)c1ccc2cccn2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ENPP2 Q13822 7/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA2 P00918 6/20 0.35
CA1 P00915 5/20 0.35
MGLL Q99685 2/20 0.35
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28187789 0.78 ALDH1A1 (0.43) ALOX15ENPP2CA4CA6CA5A
SCHEMBL24097278 0.71 ALOX15 (0.50) ALOX15KDM4EALDH1A1
SCHEMBL24874020 0.68 TBXAS1 (0.42) ENPP2CA2CA1LPLLIPG
SCHEMBL2008456 0.67 ALOX15 (0.50) ALOX15KDM4EALDH1A1
SCHEMBL20955977 0.67 ALOX15 (0.50) ALOX15KDM4EALDH1A1
SCHEMBL4566858 0.67 ALOX15 (0.50) ALOX15KDM4ETSHRALDH1A1
SCHEMBL276215 0.67 ALOX15 (0.50) ALOX15KDM4EALDH1A1
SCHEMBL2008459 0.67 ALOX15 (0.50) ALOX15KDM4EALDH1A1
SCHEMBL25515767 0.67 ALOX15 (0.44) ALOX15KDM4ETSHRALDH1A1
SCHEMBL22660493 0.65 ESR1 (0.44) ALOX15KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 US disclosed
US-9693989-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2017-07-04 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 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-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 ALOX15 4584/4885ENPP2 1102/4885CA4 4358/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 ALOX15 4584/4885ENPP2 1102/4885CA4 4358/4885

“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.