SCHEMBL16429533

SCHEMBL16429533

CCc1cc(F)ccc1OCC1COC(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
JAK2 O60674 2/20 0.44
NTRK1 P04629 2/20 0.44
CA2 P00918 1/20 0.41
HTR7 P34969 1/20 0.38
DRD4 P21917 1/20 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
SCHEMBL15906056 0.86 MAPK14 (0.47) MAPK14JAK2NTRK1CA2HTR7
SCHEMBL18812550 0.84 MAPK14 (0.46) MAPK14JAK2NTRK1CA2
SCHEMBL12943793 0.81 MAPK14 (0.44) MAPK14JAK2NTRK1CA2HTR7
SCHEMBL18812376 0.81 RBP4 (0.46) MAPK14JAK2NTRK1CA2HTR7
SCHEMBL13286431 0.80 MAPK14 (0.45) MAPK14JAK2NTRK1CA2HTR7
SCHEMBL9652424 0.79 HTT (0.39) CA2
SCHEMBL13463048 0.78 MAPK14 (0.52) MAPK14CA2
SCHEMBL9774733 0.77 MAPK14 (0.53) MAPK14CA2DRD4
SCHEMBL9774729 0.77 MAPK14 (0.53) MAPK14CA2DRD4
SCHEMBL18791256 0.76 JAK2 (0.58) MAPK14JAK2NTRK1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 US disclosed
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 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-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK MAPK14 263/4885JAK2 124/4885NTRK1 7/4885

“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.