SCHEMBL3530577

SCHEMBL3530577

CCCS(=O)(=O)N1CCc2nc(N)ncc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
KDR P35968 9/20 0.43
PDGFRB P09619 7/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DRD3 P35462 2/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3530576 0.83 MAPT (0.44) MAPTTSHRKDRKMT2AKDM4E
SCHEMBL2249696 0.82 PDGFRB (0.47) KDRPDGFRBKMT2AMEN1HSP90AB1
SCHEMBL3529483 0.75 CYP1A2 (0.47) MAPTTSHRKDRPDGFRBHSP90AB1
SCHEMBL3532067 0.74 MEN1 (0.47) MAPTKDRPDGFRBKMT2AMEN1
SCHEMBL13501681 0.71 CYP2C19 (0.51) KDRPDGFRBKMT2AMEN1DRD3
SCHEMBL4992669 0.71 MAPK1 (0.43) KDRPDGFRBKMT2AMEN1MAPK1
SCHEMBL4988828 0.70 TSHR (0.43) MAPTTSHRKMT2AKDM4ENPC1
SCHEMBL3532032 0.70 KDR (0.52) KDRPDGFRBHSP90AB1
SCHEMBL3529721 0.70 L3MBTL1 (0.58) MAPTTSHRKDRPDGFRBKMT2A
SCHEMBL3537020 0.69 HSP90AB1 (0.58) KDRPDGFRBKMT2AMEN1HSP90AB1

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 MAPT 1817/4885TSHR 3596/4885KDR 2716/4885
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 MAPT 1702/4885TSHR 3187/4885KDR 2855/4885

“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.