SCHEMBL21637249

SCHEMBL21637249

CSc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(/C(=N/C#N)NCc3cccc(O[Si](C)(C)C(C)(C)C)c3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.41
▸ NTRK3 Q16288 2/20 0.38
▸ NTRK2 Q16620 2/20 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
SCHEMBL30100791 0.90 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21625424 0.90 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21625426 0.90 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21637241 0.89 NTRK1 (0.47) NTRK1
SCHEMBL21625430 0.89 NTRK1 (0.44) NTRK1
SCHEMBL29894189 0.89 NTRK1 (0.47) NTRK1
SCHEMBL29894259 0.89 NTRK1 (0.44) NTRK1
SCHEMBL21625429 0.88 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625427 0.88 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625434 0.88 NTRK1 (0.46) NTRK1NTRK3NTRK2

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-20210277008-A1 IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2021-09-09 — — US disclosed
WO-2021148807-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 — — WO disclosed
WO-2020016594-A1 IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-01-23 — — 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-20210277008-A1 IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS MUSK, TPM3, NTRK1 NTRK1 3/4885NTRK3 5/4885NTRK2 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.

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