SCHEMBL21510296

SCHEMBL21510296

C[C@@H](Nc1ccn2ncc(N)c2n1)c1cc(F)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.49
▸ NTRK3 Q16288 10/20 0.49
▸ NTRK2 Q16620 8/20 0.45
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL29088903 1.00 NTRK1 (0.49) NTRK1NTRK3NTRK2SCN9A
SCHEMBL29088981 0.88 NTRK1 (0.47) NTRK1NTRK3NTRK2SCN9A
SCHEMBL23083841 0.88 NTRK1 (0.45) NTRK1NTRK3NTRK2
SCHEMBL16947092 0.88 NTRK1 (0.46) NTRK1NTRK3NTRK2SCN9A
SCHEMBL23083891 0.86 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL21229311 0.85 SCN9A (0.42) NTRK1SCN9A
Trifluoroacetic Acid SCHEMBL30512188 0.85 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL21510292 0.85 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL21510311 0.83 NTRK1 (0.57) NTRK1NTRK3NTRK2
SCHEMBL21510573 0.83 NTRK1 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358973-B2 Di(hetero)aryl macrocyclic compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-06-14 — — US disclosed
US-20210171542-A1 DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-06-10 — — US disclosed
EP-3770161-A1 DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-01-27 — — EP disclosed
WO-2019201131-A1 DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2019-10-24 — — 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 (2 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-11358973-B2 Di(hetero)aryl macrocyclic compound for inhibiting protein kinase activity MAP2K3, MAP2K2, MAP2K7 NTRK1 611/4885NTRK3 1391/4885NTRK2 1532/4885
US-20210171542-A1 DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K7, MAP2K2, MAP2K1 NTRK1 705/4885NTRK3 2229/4885NTRK2 1805/4885

“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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