SCHEMBL3366838

SCHEMBL3366838

COCCOc1ccc2cnc(N3CCNCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
ALDH1A1 P00352 17/20 0.52
CYP1A2 P05177 17/20 0.52
CASP1 P29466 16/20 0.52
CASP7 P55210 16/20 0.52
HSD17B10 Q99714 12/20 0.52
HPGD P15428 9/20 0.52
CYP3A4 P08684 14/20 0.48
HIF1A Q16665 13/20 0.48
CYP2C9 P11712 10/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 11/20 0.46
GLA P06280 3/20 0.46
TP53 P04637 3/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 3/20 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
SCHEMBL3368105 0.91 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL6705495 0.83 ALDH1A1 (0.51) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL31398803 0.79 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL3364374 0.79 CHEK2 (0.42) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL18893696 0.74 EGFR (0.49) ALDH1A1CASP1CASP7HSD17B10TSHR
SCHEMBL3366836 0.74 PDGFRB (0.58) CHRNB2CHRNA4ALDH1A1CYP1A2HSD17B10
SCHEMBL2921304 0.73 ALDH1A1 (0.60) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL22638127 0.73 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1CYP1A2CASP1
SCHEMBL29832175 0.72 NCF1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL872363 0.72 ADRB1 (0.65) CHRNB2CHRNA4

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 CHRNB2 4361/4885CHRNA4 4539/4885ALDH1A1 3521/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 CHRNB2 4428/4885CHRNA4 4557/4885ALDH1A1 3312/4885

“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.