SCHEMBL3364377

SCHEMBL3364377

c1nc(N2CCNCC2)c2ccc(OCCN3CCCCC3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
AURKA O14965 1/20 0.49
HRH1 P35367 1/20 0.46
HTT P42858 1/20 0.46
KIT P10721 2/20 0.45
TOP1 P11387 2/20 0.45
PDGFRB P09619 4/20 0.44
CSF1R P07333 1/20 0.44
FLT3 P36888 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRM4 Q14833 1/20 0.44
PRKDC P78527 1/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43

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
SCHEMBL3366836 0.83 PDGFRB (0.58) HTTKITPDGFRBUSP2CYP1A2
SCHEMBL7197973 0.83 PDGFRB (0.54) HRH3AURKAHRH1PDGFRBPRKDC
SCHEMBL3364384 0.81 CYP1A2 (0.44) HRH3HTTKITPDGFRBUSP2
SCHEMBL3564760 0.81 HRH3 (0.51) HRH3AURKAHRH1SIGMAR1GRM4
SCHEMBL1132488 0.80 KIT (0.65) AURKAKITPDGFRB
SCHEMBL3367549 0.79 KDM4E (0.52) HRH3SIGMAR1GRM4PSMB1PSMB5
SCHEMBL4424443 0.79 MAP4K4 (0.56) HRH3SIGMAR1GRM4PSMB1PSMB5
SCHEMBL4416516 0.77 MAP4K4 (0.57) HRH3SIGMAR1GRM4PSMB1PSMB5
SCHEMBL31298956 0.77 MAP4K4 (0.57) HRH3SIGMAR1GRM4PSMB1PSMB5
SCHEMBL27469934 0.77 PRMT5 (0.66) HTTKITPDGFRB

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 7 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
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 HRH3 1746/4885AURKA 863/4885HRH1 2256/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 HRH3 1261/4885AURKA 913/4885HRH1 1646/4885

“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.