SCHEMBL19631449

SCHEMBL19631449

CC(Oc1ccc2ncc(C(=O)O)n2n1)c1cc(F)ccc1OCCNCc1cc(OC(C)c2cc(F)ccc2OCCN(C)C(=O)OC(C)(C)C)nn2c(C(=O)O)cnc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.34
▸ RBP4 P02753 1/20 0.32

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
SCHEMBL18353076 0.89 AAK1 (0.37) AAK1RBP4
SCHEMBL16947094 0.89 AAK1 (0.37) AAK1RBP4
SCHEMBL16947089 0.78 KDM4E (0.39) —
SCHEMBL18352908 0.78 KDM4E (0.39) —
SCHEMBL18352379 0.75 SCN9A (0.40) AAK1
SCHEMBL16935982 0.72 SCN9A (0.38) AAK1
SCHEMBL30092492 0.72 SCN9A (0.38) AAK1
SCHEMBL16947088 0.72 RBP4 (0.39) RBP4
SCHEMBL21941640 0.71 SCN9A (0.40) —
SCHEMBL18357995 0.71 RBP4 (0.33) RBP4

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-10246466-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-04-02 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US 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-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 AAK1 86/4885RBP4 4739/4885
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 AAK1 86/4885RBP4 4739/4885

“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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