SCHEMBL3532032

SCHEMBL3532032

CCCCCC(=O)N1CCc2nc(N)ncc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
HSP90AB1 P08238 1/20 0.51
PDGFRB P09619 6/20 0.45
HSP90AA1 P07900 2/20 0.43
HSP90B1 P14625 1/20 0.43
ENPP2 Q13822 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3531014 0.88 KDR (0.47) KDRHSP90AB1PDGFRBHSP90AA1HSP90B1
SCHEMBL3530259 0.86 HSP90AA1 (0.42) KDRHSP90AA1HSP90B1ENPP2L3MBTL1
SCHEMBL3537020 0.80 HSP90AB1 (0.58) KDRHSP90AB1PDGFRBHSP90AA1ENPP2
SCHEMBL23501691 0.79 HSP90AB1 (0.59) KDRHSP90AB1PDGFRB
SCHEMBL3536364 0.77 PDGFRB (0.48) KDRPDGFRBHSP90AA1ENPP2L3MBTL1
SCHEMBL15643420 0.76 ENPP2 (0.46) KDRPDGFRBHSP90AA1ENPP2
SCHEMBL3531012 0.75 HSP90AA1 (0.42) KDRHSP90AA1HSP90B1ENPP2
SCHEMBL3530060 0.74 MAPT (0.65) KDRHSP90AB1PDGFRB
SCHEMBL15248091 0.73 HSP90AB1 (0.48) KDRHSP90AB1PDGFRBHSP90AA1ENPP2
SCHEMBL15883246 0.72 KDR (0.43) KDRHSP90AB1PDGFRBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 KDR 2716/4885HSP90AB1 3686/4885PDGFRB 999/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD KDR 2855/4885HSP90AB1 4045/4885PDGFRB 670/4885

“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.