SCHEMBL3321573

SCHEMBL3321573

Fc1cccc(Cc2cccc3[nH]n[c]c23)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
DAO P14920 2/20 0.38
TAAR1 Q96RJ0 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RX7 Q99572 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5745178 0.73 TAAR1 (0.37) TAAR1LMNA
SCHEMBL7258404 0.73 GABRA1 (0.38) DAOTAAR1ALDH1A1
SCHEMBL558333 0.70 FFAR1 (0.32) DAOSLC6A4ALDH1A1RAB9A
SCHEMBL3300303 0.69 TAAR1 (0.60) HCAR2DAOTAAR1IDO1AGXT
SCHEMBL2091696 0.69 TAAR1 (0.52) MPODAOTAAR1PDE3BPDE3A
SCHEMBL16616936 0.68 SLC6A4 (0.36) IDO1SLC6A4
SCHEMBL10872396 0.68 MPO (0.44) MPOHCAR2DAOPDE3BPDE3A
SCHEMBL16191018 0.67 TAAR1 (0.50) MPODAOTAAR1PDE3BPDE3A
SCHEMBL21399633 0.67 GPR84 (0.68) HTR6
SCHEMBL20257528 0.66 TAAR1 (0.49) MPODAOTAAR1PDE3BPDE3A

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-20080058519-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS LEO OSPREY LIMITED (GB) 2008-03-06 US claimed
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-20090203718-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LTD. (IE) 2009-08-13 US disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 US disclosed
US-20030220354-A1 Quinazoline ditosylate salt compounds NOVARTIS AG (CH) 2003-11-27 US disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
EP-1294715-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-03-26 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
WO-2002002552-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-01-10 WO disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO 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 (10 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-20090203718-A1 CANCER TREATMENT METHOD IGF1R, EGFR, ERBB2 MPO 4626/4885HCAR2 859/4885DAO 4044/4885
US-20080058519-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS ERBB4, ABL1, ERBB2 MPO 4691/4885HCAR2 3877/4885DAO 1071/4885
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 MPO 3071/4885HCAR2 3091/4885DAO 1206/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 MPO 3202/4885HCAR2 862/4885DAO 1573/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MPO 3686/4885HCAR2 2293/4885DAO 2169/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 MPO 3743/4885HCAR2 2700/4885DAO 645/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC MPO 3686/4885HCAR2 2293/4885DAO 2169/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MPO 3686/4885HCAR2 2293/4885DAO 2169/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC MPO 3686/4885HCAR2 2293/4885DAO 2169/4885
US-20030220354-A1 Quinazoline ditosylate salt compounds ERBB4, ABL1, ERBB2 MPO 4691/4885HCAR2 3877/4885DAO 1071/4885

“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.