SCHEMBL18812935

SCHEMBL18812935

CC(C)N1CCCC1c1cc(F)cc(OCC2COC(C)(C)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.56
▸ NTRK1 P04629 6/20 0.56
▸ MAPK14 Q16539 8/20 0.37
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL15906074 0.88 JAK2 (0.55) JAK2NTRK1MAPK14
SCHEMBL4301490 0.86 JAK2 (0.56) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL4106214 0.85 JAK2 (0.53) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL4102105 0.80 NTRK1 (0.55) JAK2NTRK1MAPK14
SCHEMBL4104877 0.76 MAPK14 (0.43) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL946873 0.76 JAK2 (0.52) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL4106164 0.75 JAK2 (0.50) JAK2NTRK1
SCHEMBL4306726 0.74 MAPK14 (0.45) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL19441276 0.74 MAPK14 (0.41) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL2878758 0.73 MAPK14 (0.44) JAK2NTRK1MAPK14CCNKCDK12

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-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 — — US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 — — 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-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK JAK2 124/4885NTRK1 7/4885MAPK14 263/4885

“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.

Send feedback