Sugi Predict

Sugi Predict / Compounds / SCHEMBL3529689

SCHEMBL3529689

SCHEMBL3529689

NC(=O)c1ncc2c(n1)CCC(NC(=O)C=Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ANPEP P15144 1/20 0.37

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
SCHEMBL3529690 0.88 HDAC8 (0.48) HDAC8SMN1; SMN2MAPTDRD2HTR2A
SCHEMBL3529619 0.86 MEN1 (0.43) HDAC8MAPTKDM4EHTT
SCHEMBL3530714 0.76 L3MBTL1 (0.39) NPC1ALDH1A1
SCHEMBL3527965 0.74 SIGMAR1 (0.45) HDAC8SMN1; SMN2SIGMAR1HPGDKDM4E
SCHEMBL3532001 0.74 HCRTR1 (0.43) —
SCHEMBL3533610 0.73 ALDH1A1 (0.45) MAPTKDM4EALDH1A1
SCHEMBL3534050 0.72 HPGD (0.42) SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL21593634 0.70 DRD2 (0.63) HDAC8SMN1; SMN2MAPTDRD2HTR2A
SCHEMBL7040433 0.70 DRD2 (0.63) HDAC8SMN1; SMN2MAPTDRD2HTR2A
SCHEMBL7040434 0.70 DRD2 (0.63) HDAC8SMN1; SMN2MAPTDRD2HTR2A

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 HDAC8 2635/4885SMN1; SMN2 498/4885MAPT 1817/4885
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 HDAC8 3342/4885SMN1; SMN2 666/4885MAPT 1702/4885

“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.