SCHEMBL17110465

SCHEMBL17110465

O=C(Cl)c1ccc(C(F)(F)F)c(-c2ncccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.47
▸ KMO O15229 2/20 0.40
▸ SLC6A7 Q99884 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GRM4 Q14833 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
SCHEMBL17110477 0.86 NTRK1 (0.50) NTRK1KMO
SCHEMBL29633186 0.84 NTRK1 (0.53) NTRK1KMO
SCHEMBL18748544 0.82 NTRK1 (0.50) NTRK1KMOSLC6A7CYP1A2CYP3A4
SCHEMBL17110505 0.81 NOTUM (0.58) NTRK1ALOX15
SCHEMBL31542017 0.76 NOTUM (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL2680326 0.76 NOTUM (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL30892335 0.74 GLA (0.45) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL278277 0.74 GLA (0.45) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL8151708 0.73 CES2 (0.47) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL30308280 0.73 KIF11 (0.56) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2

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 23 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-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — WO disclosed
WO-2015148344-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-2015148373-A2 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-2015143654-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 NTRK1 5/4885KMO 282/4885SLC6A7 4436/4885
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 NTRK1 4/4885KMO 1717/4885SLC6A7 4077/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF NTRK1 5/4885KMO 282/4885SLC6A7 4436/4885

“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.

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