SCHEMBL3530723

SCHEMBL3530723

Nc1ncc2c(n1)CCC(NC(=O)c1cc(F)cc(F)c1)C2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
PDGFRB P09619 2/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MAP4K4 O95819 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SCN9A Q15858 3/20 0.37
MCHR1 Q99705 1/20 0.37
SCN3A Q9NY46 2/20 0.36
SCN5A Q14524 1/20 0.36
RB1 P06400 1/20 0.36
SCN4A P35499 1/20 0.36

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
SCHEMBL3530721 0.87 HDAC8 (0.36) KDRPDGFRBMAP4K4HDAC8SCN9A
SCHEMBL3533091 0.82 MAPK1 (0.47) KDRPDGFRB
SCHEMBL3009300 0.80 DRD3 (0.42) KDRPDGFRBDRD2DRD3SCN9A
SCHEMBL6092902 0.79 MTNR1A (0.50) KDRPDGFRBDRD2DRD3
SCHEMBL3537068 0.79 KDR (0.47) KDRPDGFRBDRD2DRD3HDAC8
SCHEMBL3534365 0.76 NPC1 (0.49) KDRPDGFRBDRD2DRD3
SCHEMBL3530715 0.76 DRD2 (0.44) KDRPDGFRBDRD2DRD3SCN9A
SCHEMBL3532003 0.75 PTGES (0.47) KDRDRD2DRD3
SCHEMBL3538413 0.74 CRHR1 (0.49)
SCHEMBL13213520 0.74 EPHX2 (0.44) KDRPDGFRBDRD2DRD3MAP4K4

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 2716/4885PDGFRB 999/4885DRD2 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 KDR 2855/4885PDGFRB 670/4885DRD2 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.