SCHEMBL3532067

SCHEMBL3532067

Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc(N)ncc3C2)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PDGFRB P09619 6/20 0.46
KDR P35968 10/20 0.41
HSP90AB1 P08238 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3532065 0.84 MEN1 (0.43) MEN1KMT2AHSP90AB1ALDH1A1LMNA
SCHEMBL2249696 0.79 PDGFRB (0.47) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL3533242 0.75 HTT (0.46) MEN1KMT2AKDRALDH1A1LMNA
SCHEMBL3530577 0.74 MAPT (0.48) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL3529721 0.72 L3MBTL1 (0.58) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL13501681 0.69 CYP2C19 (0.51) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL13003704 0.67 HSP90AA1 (0.44) HSP90AB1
SCHEMBL3537020 0.66 HSP90AB1 (0.58) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL25138304 0.66 PDGFRB (0.46) MEN1KMT2APDGFRBKDRHSP90AB1
SCHEMBL3534010 0.65 KDM4E (0.43) PDGFRBKDRALDH1A1LMNAMAPT

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 MEN1 3500/4885KMT2A 3974/4885PDGFRB 999/4885
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 MEN1 3452/4885KMT2A 4160/4885PDGFRB 670/4885

“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.