SCHEMBL3532118

SCHEMBL3532118

COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(F)cc4)ncc3C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
PDGFRB P09619 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL3528339 0.89 KMT2A (0.52) ALDH1A1KMT2AKDM4EHSD17B10SMN1; SMN2
SCHEMBL3527945 0.82 MAPT (0.46) ALDH1A1KMT2AKDM4ESMN1; SMN2CYP2C19
SCHEMBL3533376 0.79 KMT2A (0.51) ALDH1A1KMT2AKDM4ESMN1; SMN2PKM
SCHEMBL3530918 0.79 RAB9A (0.48) ALDH1A1KMT2AKDM4EHSD17B10SMN1; SMN2
SCHEMBL3529483 0.78 CYP1A2 (0.47) ALDH1A1KDM4ESMN1; SMN2CYP3A4MAPT
SCHEMBL3528589 0.78 KDR (0.53) ALDH1A1KMT2AKDM4EHSD17B10SMN1; SMN2
SCHEMBL3532204 0.78 KMT2A (0.47) ALDH1A1KMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL3532188 0.78 KDR (0.49) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL3527921 0.78 MAPT (0.48) KMT2AKDM4ESMN1; SMN2CYP3A4NPSR1
SCHEMBL3533068 0.77 MAPT (0.45) ALDH1A1KMT2AKDM4EHSD17B10SMN1; SMN2

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 9 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
EP-1742925-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 Grünenthal GmbH (DE) 2007-01-17 EP disclosed
WO-2005105759-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 Grünenthal GmbH (DE) 2005-11-10 WO 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 ALDH1A1 772/4885KMT2A 3974/4885KDM4E 2024/4885
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 ALDH1A1 869/4885KMT2A 4160/4885KDM4E 2064/4885

“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.