SCHEMBL4295722

SCHEMBL4295722

C=C1OCC(COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(C(=O)NC5CC5)c4n3)c2)O1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.76
▸ JAK2 O60674 17/20 0.76

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
SCHEMBL4302100 0.91 NTRK1 (0.75) NTRK1JAK2
SCHEMBL950685 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30009510 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2694949 0.84 NTRK1 (1.00) NTRK1JAK2
SCHEMBL19987903 0.84 NTRK1 (0.89) NTRK1JAK2
SCHEMBL2694945 0.84 NTRK1 (1.00) NTRK1JAK2
SCHEMBL948625 0.82 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30009477 0.82 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30010121 0.82 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2692944 0.82 NTRK1 (1.00) NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 — — 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-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K NTRK1 8/4885JAK2 143/4885

“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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