SCHEMBL1099062

SCHEMBL1099062

COCCNc1cccc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
CYP1A2 P05177 6/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 3/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH3 Q9ULD8 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CLK4 Q9HAZ1 2/20 0.43
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP3A4 P08684 2/20 0.41
HCAR3 P49019 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL17365662 0.87 CYP1A2 (0.53) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL22242112 0.81 CYP1A2 (0.51) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL14621975 0.81 APP (0.50) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL17364384 0.81 CHRNB2 (0.53) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL29971364 0.81 CYP1A2 (0.48) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL21894334 0.79 CYP1A2 (0.47) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL29265646 0.79 CYP1A2 (0.47) NCF1CYP1A2ALDH1A1CYP2C19ALOX15
SCHEMBL16790977 0.78 HRH3 (0.43) ALDH1A1HSD17B10XIAPBIRC2KDM4E
SCHEMBL8396192 0.77 TLR8 (0.58) ALDH1A1XIAPBIRC2KDM4EMAPT
SCHEMBL22242109 0.77 CYP1A2 (0.45) NCF1CYP1A2ALDH1A1CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 WO disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 NCF1 4191/4885CYP1A2 1451/4885ALDH1A1 1600/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 NCF1 2593/4885CYP1A2 583/4885ALDH1A1 2449/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 NCF1 2263/4885CYP1A2 642/4885ALDH1A1 2094/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 NCF1 1933/4885CYP1A2 721/4885ALDH1A1 2331/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 NCF1 4228/4885CYP1A2 691/4885ALDH1A1 997/4885

“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.