SCHEMBL17825633

SCHEMBL17825633

NC(=O)c1c(Cl)ccc(F)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.45
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
DPP4 P27487 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SLC2A1 P11166 1/20 0.36
IDO1 P14902 1/20 0.36
CDC7 O00311 1/20 0.36
EEF2K O00418 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36

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
SCHEMBL17333135 0.84 DPP4 (0.50) PBRM1ITGB2ICAM1ITGALDPP4
SCHEMBL3219749 0.83 CES2 (0.41) PBRM1ITGB2ICAM1ITGALKMT2A
Hydrochloric Acid SCHEMBL8380885 0.82 PBRM1 (0.41) PBRM1ITGB2ICAM1ITGALCASP1
SCHEMBL8676513 0.82 PBRM1 (0.43) PBRM1ITGB2ICAM1ITGALDPP4
SCHEMBL6818860 0.79 PBRM1 (0.41) PBRM1ITGB2ICAM1ITGALCASP1
SCHEMBL206143 0.78 DPP4 (0.42) PBRM1DPP4KMT2AATMCDC7
SCHEMBL4042914 0.78 PBRM1 (0.40) PBRM1ITGB2ICAM1ITGALCASP1
SCHEMBL6741177 0.76 POLB (0.43) PBRM1DPP4KMT2AATMCDC7
SCHEMBL17825685 0.76 POLB (0.36) PBRM1KMT2AKDRLIMK1GAA
SCHEMBL2867748 0.73 PBRM1 (0.58) PBRM1ITGB2ICAM1ITGALKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 WO disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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 (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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 PBRM1 4305/4885ITGB2 108/4885ICAM1 106/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 PBRM1 4305/4885ITGB2 108/4885ICAM1 106/4885

“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.