SCHEMBL461428

SCHEMBL461428

COC(=O)C(=O)c1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL463056 0.94 DPP4 (0.47) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL461396 0.92 DPP4 (0.46) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL463059 0.90 DPP4 (0.52) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL461843 0.89 DPP4 (0.46) DPP4DPP8DPP9TP53NPSR1
SCHEMBL459007 0.85 DPP4 (0.43) DPP4DPP8DPP9TP53NPSR1
SCHEMBL457708 0.83 DPP4 (0.46) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL461427 0.81 RXFP1 (0.43) DPP4DPP8DPP9TP53RXFP1
SCHEMBL461152 0.80 DPP4 (0.47) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL15475877 0.79 NPC1 (0.53) TP53RXFP1NPSR1KMT2AMAPT
SCHEMBL12079176 0.78 DPP4 (0.50) DPP4DPP8DPP9CYP3A4CYP2C9

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 4 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
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
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 DPP4 3849/4885DPP8 3207/4885DPP9 2930/4885

“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.