SCHEMBL17825675

SCHEMBL17825675

Cc1ccc(F)c2nc(Cl)cc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.33
CLCN2 P51788 1/20 0.33
SOS1 Q07889 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTT P42858 1/20 0.33
F9 P00740 2/20 0.32
KMT2A Q03164 2/20 0.32
CRHR1 P34998 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.32
HSD11B1 P28845 1/20 0.32
SRC P12931 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 1/20 0.31
CHRM4 P08173 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
SCHEMBL17825587 0.80 MAPT (0.45) LMNAF9HPGD
SCHEMBL7696376 0.79 NR4A2 (0.40) LMNAKMT2ASRCCYP3A4
SCHEMBL18691141 0.79 NQO2 (0.39) LMNASRCCYP3A4
SCHEMBL6586731 0.74 MAPT (0.46) LMNAKMT2ACRHR1MEN1CYP3A4
SCHEMBL19554032 0.73 MAPT (0.42) LMNAHTTKMT2ACRHR1APP
SCHEMBL7693395 0.72 MEN1 (0.43) LMNAHTTKMT2AMEN1CYP3A4
SCHEMBL23015392 0.71 GRM2 (0.33) CYP3A4
SCHEMBL14690644 0.71 KDM4E (0.40) LMNASRCCYP3A4
SCHEMBL19554036 0.71 MAPT (0.41) LMNAHTTKMT2ACRHR1ADORA1
SCHEMBL1577694 0.71 LMNA (0.43) LMNAHTTKMT2AMEN1CYP3A4

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 LMNA 1056/4885ADRA2A 2869/4885CLCN2 2346/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 LMNA 1056/4885ADRA2A 2869/4885CLCN2 2346/4885

“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.