SCHEMBL17110607

SCHEMBL17110607

Cc1c(Cl)c(C(=O)O)cc(-c2ccnn2C2CCCCO2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ATR Q13535 16/20 0.44
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL17112012 0.76 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL17110606 0.76 ATR (0.45) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL16389156 0.73 CYP4F2 (0.53) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL16389155 0.73 CYP4F2 (0.55) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL23535790 0.73 CYP4F2 (0.50) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL16389086 0.71 CYP4F2 (0.51) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL1818466 0.70 CYP4F2 (0.47) CYP4F2CYP4A11ATR
SCHEMBL17110684 0.70 CYP4F2 (0.45) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL13736084 0.68 CYP4F2 (0.54) CYP4F2CYP4A11ATR
SCHEMBL13734611 0.68 CYP4F2 (0.52) CYP4F2CYP4A11ATR

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-9862707-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-9862716-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-3122345-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
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015148373-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-2015148354-A2 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
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

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 CYP4F2 3776/4885CYP4A11 4022/4885ATR 650/4885
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 CYP4F2 3946/4885CYP4A11 4365/4885ATR 657/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF CYP4F2 3776/4885CYP4A11 4022/4885ATR 650/4885

“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.