SCHEMBL21510192

SCHEMBL21510192

C[C@@H](Oc1ccn2ncc(N)c2n1)c1cc(F)ccc1OCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.39
▸ NTRK1 P04629 14/20 0.36
▸ NTRK3 Q16288 11/20 0.36
▸ NTRK2 Q16620 9/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL21510292 0.83 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL16947001 0.83 IRAK4 (0.42) JAK2NTRK1NTRK3NTRK2
SCHEMBL16947090 0.80 NTRK1 (0.41) JAK2NTRK1NTRK3NTRK2
SCHEMBL21076797 0.80 NTRK1 (0.41) JAK2NTRK1NTRK3NTRK2
SCHEMBL16946999 0.77 CXCR3 (0.39) JAK2NTRK1NTRK3
SCHEMBL21942124 0.76 RBP4 (0.36) JAK2NTRK1NTRK3NTRK2
SCHEMBL23473891 0.75 NTRK1 (0.38) JAK2NTRK1NTRK3
SCHEMBL16946747 0.75 NTRK1 (0.39) JAK2NTRK1NTRK3NTRK2ALK
SCHEMBL22201908 0.75 NTRK1 (0.39) JAK2NTRK1NTRK3NTRK2ALK
SCHEMBL16947088 0.75 RBP4 (0.39) JAK2NTRK1NTRK3NTRK2

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 JAK2 191/4885NTRK1 611/4885NTRK3 1391/4885
US-20210171542-A1 DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K7, MAP2K2, MAP2K1 JAK2 153/4885NTRK1 705/4885NTRK3 2229/4885

“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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