SCHEMBL462684

SCHEMBL462684

Cc1cc(-c2ccccc2)n2nc(-c3cccc(Cl)c3)cc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.79
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
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
DPP4 P27487 3/20 0.51

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
SCHEMBL462950 0.85 NPC1 (0.57) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7063800 0.79 RAB9A (0.71) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL462683 0.78 KDM4E (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL461509 0.78 NPC1 (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7062668 0.78 HPGD (0.65) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL462666 0.77 DPP4 (0.52) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL463059 0.77 DPP4 (0.52) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL462697 0.76 DPP4 (0.54) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7067985 0.76 MAPT (0.74) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5270613 0.75 NPC1 (1.00) MAPTNPC1RAB9AKDM4EALDH1A1

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 MAPT 2620/4885NPC1 434/4885RAB9A 1173/4885

“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.