SCHEMBL3366836

SCHEMBL3366836

COCCOc1ccc2c(N3CCNCC3)ncnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.58
KDM1A O60341 3/20 0.53
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C19 P33261 4/20 0.51
CLK4 Q9HAZ1 3/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTT P42858 1/20 0.49
KIT P10721 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PDGFRA P16234 1/20 0.45
ENPP1 P22413 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL3368100 0.91 CYP1A2 (0.59) PDGFRBKDM1ACYP1A2CYP3A4CYP2C19
SCHEMBL6705489 0.83 KDM1A (0.76) PDGFRBKDM1ACYP1A2CYP3A4CYP2C19
SCHEMBL3364377 0.83 HRH3 (0.53) PDGFRBCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL2922635 0.81 PDGFRB (0.56) PDGFRBCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL27469934 0.80 PRMT5 (0.66) PDGFRBHTTKIT
SCHEMBL3364384 0.79 CYP1A2 (0.44) PDGFRBCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL3398676 0.77 PDGFRB (0.88) PDGFRBKIT
SCHEMBL2921599 0.77 HTT (0.58) CYP1A2CYP3A4CYP2C19CLK4USP2
SCHEMBL1222766 0.76 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19CLK4USP2
SCHEMBL3400547 0.74 PDGFRB (1.00) PDGFRBKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
US-20060063770-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-03-23 US disclosed
US-6956039-B2 Nitrogenous heterocylic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-18 US disclosed
US-20040186110-A1 Nitrogenous heterocylic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-23 US disclosed
EP-1309569-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016362-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 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 (2 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-20060063770-A1 Nitrogenous heterocyclic compounds WNK2, CDK5, WNK1 PDGFRB 6/4885KDM1A 4010/4885CYP1A2 4614/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 PDGFRB 7/4885KDM1A 3613/4885CYP1A2 4314/4885

“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.