SCHEMBL23047246

SCHEMBL23047246

CCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3OCCO[Si](C)(C)C(C)(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.47
▸ NTRK3 Q16288 10/20 0.47
▸ NTRK2 Q16620 8/20 0.44

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
SCHEMBL29617211 1.00 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL23037417 0.92 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL23037420 0.92 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL23047249 0.89 NTRK1 (0.56) NTRK1NTRK3NTRK2
SCHEMBL16947092 0.85 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL23037379 0.85 NTRK1 (0.55) NTRK1NTRK3NTRK2
SCHEMBL23037381 0.85 NTRK1 (0.55) NTRK1NTRK3NTRK2
SCHEMBL23037429 0.84 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL23037431 0.84 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL23037432 0.84 NTRK1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162218-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF PRIMEGENE (BEIJING) CO., LTD. (CN) 2022-05-26 — — US disclosed
EP-3786167-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF Primegene (Beijing) Co., Ltd. (CN) 2021-03-03 — — EP 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-20220162218-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF SRC, CYP11B1, LCK NTRK1 342/4885NTRK3 724/4885NTRK2 614/4885

“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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