SCHEMBL276517

SCHEMBL276517

[O]c1cccc2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
LMNA P02545 4/20 0.59
CYP2D6 P10635 3/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
MAPKAPK2 P49137 1/20 0.59
HTT P42858 1/20 0.53
PRKD3 O94806 3/20 0.44
PRKCG P05129 3/20 0.44
PRKCB P05771 3/20 0.44
PRKCA P17252 3/20 0.44
PRKCH P24723 3/20 0.44
PRKCI P41743 3/20 0.44
PRKCE Q02156 3/20 0.44
PRKCQ Q04759 3/20 0.44
PRKCZ Q05513 3/20 0.44
PRKCD Q05655 3/20 0.44
PRKD1 Q15139 3/20 0.44

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
SCHEMBL276527 0.83 TNF (0.53) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL6240424 0.77 LMNA (0.63) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL275571 0.77 KDM4E (0.42) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL6968741 0.77 KDM4E (0.57) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL7948611 0.76 KDM4E (0.61) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL7231935 0.75 LMNA (0.50) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL17040876 0.75 KDM4E (0.55) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL276518 0.74 KDM4E (1.00) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL3805113 0.74 CYP1A2 (0.59) CYP3A4LMNACYP2D6KDM4ECYP1A2
SCHEMBL9746543 0.74 KDM4E (0.53) CYP3A4LMNACYP2D6KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US claimed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US claimed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
US-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 US claimed
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US claimed
EP-1309568-B1 [(quinazolin-4-yl)piperazin-4-yl]thiocarboxamide compounds as inhibitors of the phosphorylation of a PDGF receptor MILLENNIUM PHARM INC (US) 2011-02-16 EP claimed
EP-2277877-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-26 EP claimed
EP-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP claimed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US claimed
US-7560461-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-14 US claimed
US-20040176594-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-09 US claimed
EP-1330444-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS AND PROCESS FOR MAKING NITROGENOUS HETEROCYCLIC COMPOUNDS AND INTERMEDIATES THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-07-30 EP claimed
EP-1315715-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2003-06-04 EP claimed
EP-1309568-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP claimed
EP-1309569-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP claimed
US-20020091130-A1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 US claimed
WO-2002036587-A2 PROCESS FOR THE PRODUCTION OF 4-QUINAZOLINYLPIPERAZIN-1-CARBOXYLIC ACID PHENYLAMIDES COR THERAPEUTICS, INC. (US) 2002-05-10 WO claimed
WO-2002016362-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed
WO-2002016351-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed

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-20020091130-A1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof NME1, NME2, TNNI3K CYP3A4 1397/4885LMNA 2087/4885CYP2D6 1695/4885
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 CYP3A4 4346/4885LMNA 4350/4885CYP2D6 3498/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 CYP3A4 4346/4885LMNA 4350/4885CYP2D6 3498/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 CYP3A4 4683/4885LMNA 3668/4885CYP2D6 3755/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 CYP3A4 4346/4885LMNA 4350/4885CYP2D6 3498/4885

“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.