SCHEMBL17110703

SCHEMBL17110703

COC(=O)c1cc(-c2ccnn2C)c(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.44
LRRK2 Q5S007 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NOTUM Q6P988 2/20 0.42
P2RX7 Q99572 3/20 0.40
NTRK1 P04629 3/20 0.39
LIPG Q9Y5X9 2/20 0.38

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
SCHEMBL18131111 0.87 ALDH1A1 (0.45) CFTRLRRK2HTR2AHTR2CMAPT
SCHEMBL2390430 0.86 CFTR (0.60) CFTRLRRK2HTR2AHTR2CMAPT
SCHEMBL17110650 0.80 NOTUM (0.52) LRRK2HTR2AHTR2CALDH1A1NOTUM
SCHEMBL2390179 0.78 CFTR (0.51) CFTRHTR2AHTR2CMAPTALDH1A1
SCHEMBL17110629 0.78 NTRK1 (0.57) NTRK1
SCHEMBL17110569 0.75 NTRK1 (0.51) CFTRMAPTALDH1A1NOTUMNTRK1
SCHEMBL15392607 0.75 ALDH1A1 (0.55) HTR2AHTR2CMAPTALDH1A1
SCHEMBL2597334 0.74 CFTR (0.57) CFTRMAPTALDH1A1NOTUM
SCHEMBL2388568 0.74 CFTR (0.54) CFTRHTR2AMAPTALDH1A1LIPG
SCHEMBL1530049 0.74 ALDH1A1 (0.49) LRRK2HTR2AHTR2CMAPTALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9862716-B2 TRKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-9862707-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
EP-3122343-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
EP-3122346-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
EP-3122344-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
WO-2015148373-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015148354-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015148350-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015143654-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015143652-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015143653-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 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 (3 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF CFTR 3987/4885LRRK2 821/4885HTR2A 2101/4885
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 CFTR 3935/4885LRRK2 686/4885HTR2A 2222/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF CFTR 3987/4885LRRK2 821/4885HTR2A 2101/4885

“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.