SCHEMBL3532485

SCHEMBL3532485

NC(=O)c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
HSP90AB1 P08238 2/20 0.52
GRM5 P41594 6/20 0.51
KCNH2 Q12809 1/20 0.51
PDGFRB P09619 3/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL3532488 0.87 SMN1; SMN2 (0.60) KDRSMN1; SMN2ALDH1A1HPGDHSP90AB1
SCHEMBL3537036 0.84 HSP90AB1 (0.48) KDRHSP90AB1PDGFRB
SCHEMBL3536379 0.80 KDR (0.64) KDRSMN1; SMN2ALDH1A1HPGDHSP90AB1
SCHEMBL4989744 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDGRM5KCNH2
SCHEMBL9955095 0.76 KDR (0.84) KDRSMN1; SMN2ALDH1A1HPGDHSP90AB1
SCHEMBL3537018 0.75 ENPP2 (0.53) HSP90AB1PDGFRB
SCHEMBL15643356 0.75 KDR (0.56) KDRSMN1; SMN2ALDH1A1HPGDHSP90AB1
SCHEMBL29586847 0.74 HSP90AB1 (0.56) KDRHSP90AB1
SCHEMBL21325971 0.74 HSP90AB1 (0.56) KDRHSP90AB1
SCHEMBL17635122 0.73 KDR (1.00) KDRHPGDHSP90AB1PDGFRB

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 2716/4885SMN1; SMN2 498/4885ALDH1A1 772/4885
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 2855/4885SMN1; SMN2 666/4885ALDH1A1 869/4885

“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.