SCHEMBL21911084

SCHEMBL21911084

O=C(O)c1cnn2ccc(N3CCOCCC3c3cc(F)cnc3O)nc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.56
JAK2 O60674 16/20 0.56

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
SCHEMBL21911083 0.92 NTRK1 (0.54) NTRK1JAK2
SCHEMBL23732307 0.92 NTRK1 (0.54) NTRK1JAK2
SCHEMBL23149413 0.89 NTRK1 (0.70) NTRK1JAK2
SCHEMBL21911081 0.89 NTRK1 (0.55) NTRK1JAK2
SCHEMBL21911085 0.86 NTRK1 (0.70) NTRK1JAK2
SCHEMBL23317826 0.84 NTRK1 (0.48) NTRK1JAK2
SCHEMBL22849675 0.84 NTRK1 (0.48) NTRK1JAK2
SCHEMBL24168768 0.81 NTRK1 (0.51) NTRK1JAK2
SCHEMBL24030442 0.80 NTRK1 (0.65) NTRK1JAK2
SCHEMBL2599268 0.80 NTRK1 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403485-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2021-12-30 US disclosed
EP-3858834-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR Shandong Luye Pharmaceutical Co., Ltd. (CN) 2021-08-04 EP disclosed
WO-2020063965-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR 南京明德新药研发有限公司 2020-04-02 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 (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-20210403485-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR NTRK1, RET, TTK NTRK1 1/4885JAK2 238/4885

“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.