SCHEMBL461080

SCHEMBL461080

COC(=O)Cc1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1Cl

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
▸ MAPT P10636 6/20 0.46
▸ POLB P06746 4/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL459359 0.91 MAPT (0.52) DPP4MAPTPOLBTHRBSMN1; SMN2
SCHEMBL457202 0.91 DPP4 (0.52) DPP4DPP8DPP9MAPTPOLB
SCHEMBL15475631 0.90 NPC1 (0.52) DPP4DPP8DPP9MAPTPOLB
SCHEMBL16271158 0.85 NPC1 (0.47) DPP4DPP8DPP9MAPTPOLB
SCHEMBL15226785 0.84 MAPT (0.47) MAPTPOLBTHRBSMN1; SMN2TP53
SCHEMBL462711 0.82 MAPT (0.46) MAPTPOLBTHRBSMN1; SMN2TP53
SCHEMBL15475806 0.81 MAPT (0.56) DPP4DPP8DPP9MAPTPOLB
SCHEMBL2045496 0.80 DPP4 (0.52) DPP4MAPTPOLBSMN1; SMN2TP53
SCHEMBL461843 0.80 DPP4 (0.46) DPP4DPP8DPP9MAPTPOLB
SCHEMBL18084235 0.80 MAPT (0.42) MAPTPOLBSMN1; SMN2TP53NPSR1

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.

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