SCHEMBL462697

SCHEMBL462697

Cc1nc2cc(-c3cccc(Cl)c3)nn2c(Cl)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.54
DPP8 Q6V1X1 2/20 0.54
DPP9 Q86TI2 2/20 0.54
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
HCRTR1 O43613 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL462666 0.87 DPP4 (0.52) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL10175047 0.85 DPP4 (0.50) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL462950 0.77 NPC1 (0.57) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL12078786 0.77 DPP4 (0.47) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL462684 0.76 MAPT (0.79) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL461843 0.76 DPP4 (0.46) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL16738973 0.75 KDM4E (0.44) DPP4NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL461080 0.75 DPP4 (0.52) DPP4DPP8DPP9KDM4ESMN1; SMN2
SCHEMBL5052689 0.75 NPC1 (0.62) DPP4NPC1RAB9AHCRTR1CASP3
SCHEMBL458967 0.74 DPP4 (0.45) DPP4DPP8DPP9NPC1RAB9A

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.