SCHEMBL16585546

SCHEMBL16585546

O=C(Nc1cc(C2CC2)nn1-c1ccccc1)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 18/20 0.62
KCNJ3 P48549 18/20 0.62
KCNJ5 P48544 13/20 0.60
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51

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
SCHEMBL16585479 0.84 GRM5 (0.59) KCNJ6KCNJ3KCNJ5
SCHEMBL16585550 0.83 NTRK1 (0.70) KCNJ6KCNJ3KCNJ5
SCHEMBL13234482 0.81 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL4513114 0.81 KCNJ6 (0.72) KCNJ6KCNJ3KCNJ5
SCHEMBL16585213 0.80 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14
SCHEMBL23203519 0.78 KCNJ6 (0.65) KCNJ6KCNJ3KCNJ5
SCHEMBL25793174 0.78 KCNJ6 (0.69) KCNJ6KCNJ3KCNJ5
SCHEMBL16586811 0.78 MAPK13 (0.47) KCNJ6KCNJ3KCNJ5MAPK13MAPK12
SCHEMBL16585445 0.77 MAPT (0.56) KCNJ6KCNJ3KCNJ5MAPK13MAPK12
SCHEMBL13234475 0.76 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US claimed
US-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-11 US claimed
EP-3046554-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2016-07-27 EP claimed
WO-2015042088-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP (US) 2015-03-26 WO claimed
WO-2015039334-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-03-26 WO claimed
US-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-11 US 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 (1 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-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGF, NGFR, NTRK2 KCNJ6 2471/4885KCNJ3 2323/4885KCNJ5 2449/4885

“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.