SCHEMBL3530918

SCHEMBL3530918

COc1ccc(Br)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccc(C)cc3)ncc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CLK1 P49759 1/20 0.42
ALPL P05186 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3530111 0.88 PDGFRB (0.48) RAB9ASMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL3530843 0.81 TSHR (0.52) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3527921 0.80 MAPT (0.48) SMN1; SMN2KMT2AMEN1HTTLMNA
SCHEMBL3532118 0.79 ALDH1A1 (0.53) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3533068 0.74 MAPT (0.45) SMN1; SMN2KMT2AMEN1L3MBTL1LMNA
SCHEMBL3528339 0.74 KMT2A (0.52) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3532188 0.73 KDR (0.49) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL3533376 0.73 KMT2A (0.51) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3526575 0.73 PPARG (0.52) RAB9ASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3531061 0.73 PDGFRB (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPK1

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 RAB9A 445/4885SMN1; SMN2 498/4885KMT2A 3974/4885
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 RAB9A 477/4885SMN1; SMN2 666/4885KMT2A 4160/4885

“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.