SCHEMBL3320604

SCHEMBL3320604

Oc1ncnc2cc(F)c(I)cc12

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.31
KIF5B P33176 6/20 0.31
KDR P35968 6/20 0.31
FLT1 P17948 2/20 0.31
EGFR P00533 2/20 0.31
RIPK2 O43353 1/20 0.31
NOD1 Q9Y239 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
FGFR1 P11362 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL1011251 0.84 IRAK4 (0.39) RETKIF5BKDRFLT1EGFR
SCHEMBL24037705 0.81 KDR (0.41) RETKIF5BKDRFLT1EGFR
SCHEMBL25552038 0.78 EGFR (0.40) RETKIF5BKDRFLT1EGFR
SCHEMBL13195987 0.78 MAP4K4 (0.41) RETKIF5BKDRFLT1EGFR
SCHEMBL15971471 0.78 IRAK4 (0.40) RETKIF5BKDREGFRRIPK2
SCHEMBL2642415 0.78 PDE4A (0.41) KDRFLT1EGFRFGFR1
Hydrochloric Acid SCHEMBL3321635 0.76 PDE4A (0.40) KDRFLT1EGFRFGFR1
SCHEMBL30562969 0.75 KMO (0.35) RETKIF5BKDREGFRIRAK4
SCHEMBL21664330 0.75 KMO (0.35) RETKIF5BKDREGFRIRAK4
SCHEMBL21456827 0.74 EGFR (0.37) RETKIF5BKDREGFRRIPK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
US-7507741-B2 quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent SMITHKLINE BEECHAM CORPORATION (US) 2009-03-24 US disclosed
EP-1454907-B1 Quninazoline and pyridopyrimidine derivatives GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-6727256-B1 4-AMINOQUINAZOLINE DERIVATIVES AS ANTICARCINOGENIC AGENTS SMITHKLINE BEECHAM CORPORATION 2004-04-27 US disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 US disclosed
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 CN disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 WO disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 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 (7 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 RET 3083/4885KIF5B 3299/4885KDR 2016/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 RET 29/4885KIF5B 3530/4885KDR 107/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RET 8/4885KIF5B 2560/4885KDR 60/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 RET 11/4885KIF5B 2510/4885KDR 195/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC RET 8/4885KIF5B 2560/4885KDR 60/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RET 8/4885KIF5B 2560/4885KDR 60/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC RET 8/4885KIF5B 2560/4885KDR 60/4885

“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.