SCHEMBL19742253

SCHEMBL19742253

NCc1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.39
▸ GABRA5 P31644 1/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ STAT3 P40763 8/20 0.36
▸ ATR Q13535 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ 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
SCHEMBL19742279 0.89 PAK4 (0.41) PAK4GABRA5STAT3SPRHPGD
SCHEMBL19753606 0.88 GABRA5 (0.41) PAK4GABRA5SPRHPGDDDR1
SCHEMBL17844684 0.85 PAK4 (0.42) PAK4GABRA5KCNH2STAT3ATR
SCHEMBL19742280 0.83 GABRA5 (0.37) PAK4GABRA5STAT3ATRSPR
SCHEMBL17859235 0.82 PAK4 (0.61) PAK4GABRA5KCNH2STAT3ATR
SCHEMBL17859496 0.81 PAK4 (0.39) PAK4GABRA5STAT3HPGDSCN9A
SCHEMBL16379559 0.79 PAK4 (0.52) PAK4GABRA5STAT3SCN9A
SCHEMBL17859536 0.79 PAK4 (0.42) PAK4GABRA5STAT3
SCHEMBL29611290 0.79 PAK4 (0.52) PAK4GABRA5STAT3SCN9A
SCHEMBL17844705 0.78 GABRA5 (0.40) PAK4GABRA5KCNH2STAT3ATR

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 2240/4885KCNH2 2128/4885

“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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