Sugi Predict

Sugi Predict / Compounds / SCHEMBL462663

SCHEMBL462663

SCHEMBL462663

Cc1ccc(-c2c(CO)c(C)nc3ccnn23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PDE4B Q07343 4/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33

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
SCHEMBL238498 0.76 KDR (0.40) KDRCDK2
SCHEMBL461032 0.75 NPC1 (0.57) MEN1KMT2ADPP4KDM4EALDH1A1
SCHEMBL459796 0.74 KDR (0.35) KDRMEN1KMT2APDE4BPDE4D
SCHEMBL462981 0.73 ALDH1A1 (0.45) KDRMEN1KMT2APDE4BPDE4D
SCHEMBL459962 0.72 PSIP1 (0.42) KDRPDE4BPDE4DPDE4APDE4C
SCHEMBL15274700 0.71 HSD17B10 (0.45) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL2045772 0.71 PSIP1 (0.61) —
SCHEMBL16457406 0.70 PDE4B (0.36) KDRMEN1KMT2ADPP4PDE4B
SCHEMBL458548 0.70 KDR (0.37) KDRPDE4BPDE4DPDE4APDE4C
SCHEMBL2045656 0.69 PSIP1 (0.48) KDRPDE4BPDE4DPDE4APDE4C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 — — EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO 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 (1 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDR 4247/4885MEN1 4470/4885KMT2A 3920/4885

“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.