Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530715

SCHEMBL3530715

SCHEMBL3530715

Nc1ncc2c(n1)CCC(NC(=O)c1ccccc1Br)C2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ KDR P35968 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ SCN3A Q9NY46 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ POLB P06746 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
SCHEMBL3530714 0.87 L3MBTL1 (0.39) ALDH1A1L3MBTL1SCN3ASCN9ASCN4A
SCHEMBL3534365 0.87 NPC1 (0.49) DRD2DRD3KDRL3MBTL1PDGFRB
SCHEMBL3532003 0.84 PTGES (0.47) DRD2DRD3KDR
SCHEMBL3537068 0.79 KDR (0.47) DRD2DRD3KDRPDGFRBSCN3A
SCHEMBL3009300 0.79 DRD3 (0.42) DRD2DRD3KDRPDGFRBSCN3A
SCHEMBL6092902 0.78 MTNR1A (0.50) DRD2DRD3KDRPDGFRB
SCHEMBL3530723 0.76 KDR (0.47) DRD2DRD3KDRPDGFRBSCN3A
SCHEMBL3529690 0.75 HDAC8 (0.48) DRD2DRD3KDRALDH1A1NPC1
SCHEMBL3538413 0.75 CRHR1 (0.49) —
SCHEMBL20722738 0.74 CA1 (0.54) DRD2DRD3ALDH1A1

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 DRD2 1197/4885DRD3 1557/4885KDR 2716/4885
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 DRD2 1269/4885DRD3 1584/4885KDR 2855/4885

“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.