Sugi Predict

Sugi Predict / Compounds / SCHEMBL3529994

SCHEMBL3529994

SCHEMBL3529994

Nc1ncc2c(n1)CCC(NS(=O)(=O)c1cc(Cl)sc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 5/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ S100A9 P06702 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ APP P05067 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3529992 0.86 HDAC8 (0.35) SGK1HDAC8CDK1CCNB1CCNA2
SCHEMBL3528284 0.73 DCK (0.45) HDAC8
SCHEMBL3533839 0.72 CA1 (0.42) —
SCHEMBL3534453 0.71 PKM (0.47) —
SCHEMBL3530766 0.70 F2 (0.49) DRD3
SCHEMBL3530303 0.69 DPP4 (0.43) —
SCHEMBL3009300 0.67 DRD3 (0.42) DRD3
SCHEMBL6092902 0.66 MTNR1A (0.50) DRD3
SCHEMBL3534412 0.65 CYP1A2 (0.42) HDAC8APP
SCHEMBL3532386 0.65 PKM (0.43) HDAC8

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 SGK1 2976/4885ALOX5AP 520/4885FEN1 4515/4885
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 SGK1 3166/4885ALOX5AP 510/4885FEN1 4171/4885

“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.