SCHEMBL457202

SCHEMBL457202

COC(=O)Cc1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
POLB P06746 4/20 0.46
MAPT P10636 6/20 0.46
THRB P10828 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 1/20 0.45
ABCB1 P08183 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 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
SCHEMBL461080 0.91 DPP4 (0.52) DPP4DPP8DPP9POLBMAPT
SCHEMBL470323 0.89 MAPT (0.52) POLBMAPTTHRBSMN1; SMN2TP53
SCHEMBL15475992 0.88 NPC1 (0.53) POLBMAPTTHRBSMN1; SMN2TP53
SCHEMBL15226771 0.82 MAPT (0.48) POLBMAPTTHRBSMN1; SMN2TP53
SCHEMBL459359 0.82 MAPT (0.52) DPP4POLBMAPTTHRBSMN1; SMN2
SCHEMBL15475631 0.81 NPC1 (0.52) DPP4DPP8DPP9POLBMAPT
SCHEMBL459528 0.80 MAPT (0.46) POLBMAPTTHRBSMN1; SMN2TP53
SCHEMBL8570609 0.80 MAPT (0.62) POLBMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL461843 0.79 DPP4 (0.46) DPP4DPP8DPP9POLBMAPT
SCHEMBL10174477 0.79 ALDH1A1 (0.54) DPP4MAPTTHRBSMN1; SMN2TP53

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 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.