SCHEMBL20903455

SCHEMBL20903455

CC(Oc1ccn2ncc(C(=O)O)c2n1)c1cc(F)ccc1OCCN1C(=O)CCC1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.39
▸ JAK2 O60674 13/20 0.39
▸ NTRK3 Q16288 5/20 0.35
▸ NTRK2 Q16620 4/20 0.35

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
SCHEMBL16946999 0.88 CXCR3 (0.39) NTRK1JAK2NTRK3
SCHEMBL16947001 0.83 IRAK4 (0.42) NTRK1JAK2NTRK3NTRK2
SCHEMBL21076797 0.81 NTRK1 (0.41) NTRK1JAK2NTRK3NTRK2
SCHEMBL16947090 0.81 NTRK1 (0.41) NTRK1JAK2NTRK3NTRK2
SCHEMBL16947088 0.76 RBP4 (0.39) NTRK1JAK2NTRK3NTRK2
SCHEMBL21942124 0.76 RBP4 (0.36) NTRK1JAK2NTRK3NTRK2
SCHEMBL21510192 0.74 JAK2 (0.39) NTRK1JAK2NTRK3NTRK2
SCHEMBL23037401 0.71 NTRK1 (0.51) NTRK1JAK2NTRK3NTRK2
SCHEMBL21941661 0.71 JAK2 (0.42) NTRK1JAK2
SCHEMBL23037402 0.71 NTRK1 (0.51) NTRK1JAK2NTRK3NTRK2

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-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 — — US disclosed
EP-3097107-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS INC (US) 2019-04-17 — — 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-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 NTRK1 1072/4885JAK2 60/4885NTRK3 1453/4885

“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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