SCHEMBL19742295

SCHEMBL19742295

CN(C(=O)O)c1cc2cc(-c3ccc(C(=S)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2s1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ ATR Q13535 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL17844714 0.93 GABRA5 (0.38) PAK4GABRA5PTK2ATRSTAT3
SCHEMBL18317475 0.82 PAK4 (0.36) PAK4GABRA5PTK2ATRSTAT3
SCHEMBL19742294 0.82 PAK4 (0.37) PAK4GABRA5PTK2STAT3RORC
SCHEMBL17844731 0.81 PAK4 (0.34) PAK4STAT3
SCHEMBL19742272 0.79 GABRA5 (0.37) PAK4GABRA5PTK2ATRSTAT3
SCHEMBL17859423 0.79 GABRA5 (0.41) PAK4GABRA5STAT3RORC
SCHEMBL17859431 0.79 NTRK1 (0.37) PAK4GABRA5RORC
SCHEMBL17859425 0.77 PAK4 (0.41) PAK4GABRA5STAT3
SCHEMBL17859426 0.75 PAK4 (0.41) PAK4GABRA5STAT3
SCHEMBL17859536 0.75 PAK4 (0.42) PAK4GABRA5STAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — 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 (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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 PAK4 1077/4885GABRA5 2240/4885PTK2 3820/4885

“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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