SCHEMBL17844723

SCHEMBL17844723

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ STAT3 P40763 6/20 0.37
▸ ATR Q13535 4/20 0.36
▸ SPR P35270 1/20 0.36
▸ FASN P49327 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ GHSR Q92847 1/20 0.33

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
SCHEMBL19742280 0.86 GABRA5 (0.37) PAK4GABRA5STAT3ATRSPR
SCHEMBL17844684 0.82 PAK4 (0.42) PAK4GABRA5STAT3ATRSPR
SCHEMBL17844714 0.82 GABRA5 (0.38) PAK4GABRA5STAT3ATRSPR
SCHEMBL18317597 0.82 PAK4 (0.42) PAK4GABRA5STAT3ATRHPGD
SCHEMBL17844699 0.82 GABRA5 (0.39) PAK4GABRA5STAT3ATRHPGD
SCHEMBL17844722 0.81 PAK4 (0.43) PAK4GABRA5STAT3SPRHPGD
SCHEMBL19742271 0.80 STAT3 (0.38) PAK4GABRA5STAT3ATRHPGD
SCHEMBL19742272 0.80 GABRA5 (0.37) PAK4GABRA5STAT3ATRHPGD
SCHEMBL17859408 0.78 PAK4 (0.41) PAK4GABRA5STAT3SPRHPGD
SCHEMBL19742253 0.77 PAK4 (0.39) PAK4GABRA5STAT3ATRSPR

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — 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 (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 2240/4885STAT3 91/4885

“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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