SCHEMBL20007366

SCHEMBL20007366

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)Nc1ccccn1)c1ccc2scnc2c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PYGL P06737 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL18181268 1.00 PDE10A (0.32) PDE10AITGB3ITGB1ITGAVITGA5
SCHEMBL20007636 0.90 MAPK1 (0.34) PDE10AALOX5APFEN1PYGL
SCHEMBL18181128 0.90 MAPK1 (0.34) PDE10AALOX5APFEN1PYGL
SCHEMBL19999853 0.88 KMT2A (0.35) TSHR
SCHEMBL19999764 0.88 PYGL (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL18180271 0.87 SYK (0.31) PDE10AALOX5APFEN1
SCHEMBL19969198 0.87 SYK (0.31) PDE10AALOX5APFEN1
SCHEMBL18181431 0.87 NAMPT (0.40) MCL1
SCHEMBL20007580 0.86 CDK1 (0.31) PDE10A
SCHEMBL18181072 0.86 CDK1 (0.31) PDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US 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 (2 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H PDE10A 3414/4885ITGB3 4476/4885ITGB1 4139/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H PDE10A 3414/4885ITGB3 4476/4885ITGB1 4139/4885

“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.