SCHEMBL3530545

SCHEMBL3530545

O=C(Nc1ncc2c(n1)CCN(C(=O)CC1CC1)C2)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.46
PDGFRB P09619 3/20 0.44
CDK4 P11802 2/20 0.41
CDK2 P24941 2/20 0.41
CDK6 Q00534 2/20 0.41
KDR P35968 2/20 0.40
SYK P43405 1/20 0.40
GRM5 P41594 1/20 0.40
NAMPT P43490 1/20 0.40
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
CDK1 P06493 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3530929 0.86 ENPP2 (0.46) ENPP2PDGFRBKDRNAMPTNPC1
SCHEMBL3527023 0.85 ENPP2 (0.43) ENPP2PDGFRBCDK4CDK2CDK6
SCHEMBL3530952 0.78 NPC1 (0.51) ENPP2PDGFRBKDRNPC1RAB9A
SCHEMBL3532953 0.78 KDR (0.48) ENPP2PDGFRBKDR
SCHEMBL3531023 0.76 ENPP2 (0.46) ENPP2PDGFRBCDK2KDRGRM5
SCHEMBL3532594 0.75 KDR (0.46) ENPP2PDGFRBKDRNPC1RAB9A
SCHEMBL3532580 0.74 HSP90AA1 (0.44) ENPP2PDGFRBKDRGRM5
SCHEMBL5546353 0.73 KEAP1 (0.47) ENPP2PDGFRBKDRSYKGRM5
SCHEMBL3530466 0.72 ENPP2 (0.46) ENPP2PDGFRBCDK4CDK2KDR
SCHEMBL5546460 0.72 MEN1 (0.43) ENPP2PDGFRBGRM5

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-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-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 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
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 disclosed
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 ENPP2 1673/4885PDGFRB 999/4885CDK4 751/4885
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 ENPP2 1970/4885PDGFRB 670/4885CDK4 613/4885

“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.