Sugi Predict

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SCHEMBL3535957

SCHEMBL3535957

Cc1ccc(C)c(CC(=O)NC2CCc3nc(N)ncc3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.40
▸ KDR P35968 4/20 0.38
▸ PDGFRB P09619 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL3535953 0.88 MAPK8 (0.37) MAPK8MTNR1AMTNR1BLMNAHPGD
SCHEMBL3532765 0.82 CYP1A2 (0.42) MAPK8HPGDMAPT
SCHEMBL3527966 0.79 SIGMAR1 (0.47) DRD2DRD3MTNR1AMTNR1BLMNA
SCHEMBL3009300 0.78 DRD3 (0.42) KDRPDGFRBDRD2DRD3F2
SCHEMBL3530610 0.77 EPHX2 (0.52) MTNR1AMTNR1BLMNAMAPT
SCHEMBL6092902 0.77 MTNR1A (0.50) KDRPDGFRBDRD2DRD3MTNR1A
SCHEMBL3534053 0.76 HPGD (0.43) KDRPDGFRBDRD2DRD3F2
SCHEMBL3534365 0.75 NPC1 (0.49) KDRPDGFRBDRD2DRD3
SCHEMBL3533391 0.74 ALDH1A1 (0.52) LMNAHPGDMAPT
SCHEMBL3537068 0.74 KDR (0.47) KDRPDGFRBDRD2DRD3

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 MAPK8 1193/4885KDR 2716/4885PDGFRB 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 MAPK8 1128/4885KDR 2855/4885PDGFRB 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.