SCHEMBL17844684

SCHEMBL17844684

NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.42
▸ SPR P35270 1/20 0.39
▸ GABRA5 P31644 1/20 0.37
▸ STAT3 P40763 8/20 0.37
▸ ATR Q13535 2/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ DDR1 Q08345 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
SCHEMBL17844722 0.88 PAK4 (0.43) PAK4SPRGABRA5STAT3HRH3
SCHEMBL19753591 0.88 PAK4 (0.43) PAK4SPRGABRA5HRH3DDR1
SCHEMBL19742253 0.85 PAK4 (0.39) PAK4SPRGABRA5STAT3ATR
SCHEMBL17859408 0.85 PAK4 (0.41) PAK4SPRGABRA5STAT3DDR1
SCHEMBL17844711 0.82 PAK4 (0.62) PAK4SPRGABRA5STAT3ATR
SCHEMBL17844712 0.82 PAK4 (0.62) PAK4SPRGABRA5STAT3ATR
SCHEMBL17844723 0.82 PAK4 (0.38) PAK4SPRGABRA5STAT3ATR
SCHEMBL29611290 0.81 PAK4 (0.52) PAK4GABRA5STAT3HRH3
SCHEMBL17859536 0.81 PAK4 (0.42) PAK4GABRA5STAT3HRH3
SCHEMBL16379559 0.81 PAK4 (0.52) PAK4GABRA5STAT3HRH3

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 3 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
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 1077/4885SPR 2525/4885GABRA5 2240/4885

“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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