SCHEMBL869338

SCHEMBL869338

Nc1ccc2nc(-c3cccc(Br)c3)nc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.46
ABCB1 P08183 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 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
SCHEMBL31061566 0.85 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL5569024 0.84 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL3660679 0.82 CYP1A2 (0.53) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL27901707 0.82 MAP4K4 (0.50) RAB9ANPC1ABCG2HTTDHPS
SCHEMBL30478714 0.82 RAB9A (0.55) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL2253014 0.79 ABCG2 (0.49) CYP1A2KMT2AMAPTMEN1KDM4E
Ammonia Solution, Strong SCHEMBL6422186 0.77 KDM4E (0.41) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL2949651 0.77 MRGPRX4 (0.42) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL4825564 0.77 ACHE (0.51) KMT2AMAPTMEN1RAB9AKDM4E
SCHEMBL15877057 0.76 DHPS (0.54) KMT2AMAPTMEN1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 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
CN-103717602-A Kinase inhibitors UNIV CALIFORNIA 2014-04-09 CN disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
CN-101100466-B Non-reversible protein tyrosine phosphorus acylase inhibitor and its preparation and application TIANJIN HEMAY BIO TECH CO LTD 2013-12-25 CN disclosed
CN-103086984-A 4-phenylamino quinazoline derivative, preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-05-08 CN disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
EP-2406262-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2012-01-18 EP disclosed
CN-101857573-A The quinazoline derivant that replaces and as the purposes of tyrosine kinase inhibitor AMERICAN CYANAMID CO 2010-10-13 CN 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-7754729-B2 Quinazoline and quinoline derivatives as irreversible protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-07-13 US disclosed
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 US disclosed
CN-101100466-A Non-reversible protein tyrosine phosphorus acylase inhibitor and its preparation and application TIANJIN HEMEI BIOTECHNOLOGY CO (CN) 2008-01-09 CN disclosed
CN-1271349-A Substituted quinazoline derivatives and their use as tyrosine kinase inhibitors AMERICAN CYANAMID CO (US) 2000-10-25 CN 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 (5 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 CYP1A1 705/4885CYP1A2 553/4885CYP1B1 1348/4885
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CYP1A1 4544/4885CYP1A2 4462/4885CYP1B1 3892/4885
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CYP1A1 719/4885CYP1A2 1095/4885CYP1B1 538/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 CYP1A1 1522/4885CYP1A2 1184/4885CYP1B1 1889/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 CYP1A1 1522/4885CYP1A2 1184/4885CYP1B1 1889/4885

“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.