SCHEMBL3532003

SCHEMBL3532003

Nc1ncc2c(n1)CCC(NC(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.47
HCRTR1 O43613 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
TP53 P04637 1/20 0.42
KDR P35968 1/20 0.42
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3532001 0.88 HCRTR1 (0.43) PTGESHCRTR1TP53DPP4DPP7
SCHEMBL3530715 0.84 DRD2 (0.44) DRD2DRD3KDR
SCHEMBL3534365 0.84 NPC1 (0.49) DRD2DRD3KDR
SCHEMBL3538413 0.81 CRHR1 (0.49)
SCHEMBL15643281 0.80 PTGES (0.39) PTGESHCRTR1TP53DPP4DPP7
SCHEMBL3009300 0.76 DRD3 (0.42) DRD2DRD3KDR
SCHEMBL3530723 0.75 KDR (0.47) DRD2DRD3KDR
SCHEMBL6092902 0.75 MTNR1A (0.50) DRD2DRD3KDR
SCHEMBL30681561 0.73 LMNA (0.62) PTGESHCRTR1TP53DPP4DPP7
SCHEMBL1819622 0.73 LMNA (0.62) PTGESHCRTR1TP53DPP4DPP7

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 PTGES 77/4885HCRTR1 4263/4885DRD2 1197/4885
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 PTGES 80/4885HCRTR1 4408/4885DRD2 1269/4885

“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.