SCHEMBL19742270

SCHEMBL19742270

O=C(O)NCc1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.40
▸ GABRA5 P31644 1/20 0.38
▸ RORC P51449 3/20 0.35
▸ STAT3 P40763 4/20 0.34
▸ DDR1 Q08345 3/20 0.34
▸ LIPC P11150 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ DYRK2 Q92630 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ PTK2 Q05397 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
SCHEMBL17859500 0.90 PAK4 (0.38) PAK4GABRA5RORCSTAT3LIPC
SCHEMBL19742285 0.89 LIPC (0.41) PAK4RORCLIPCNAMPTSYK
SCHEMBL17859496 0.89 PAK4 (0.39) PAK4GABRA5RORCSTAT3LIPC
SCHEMBL17844713 0.86 PAK4 (0.43) PAK4GABRA5RORCSTAT3NAMPT
SCHEMBL17859238 0.85 PAK4 (0.59) PAK4GABRA5RORCSTAT3DDR1
SCHEMBL19742279 0.82 PAK4 (0.41) PAK4GABRA5STAT3DDR1NAMPT
SCHEMBL19742272 0.82 GABRA5 (0.37) PAK4GABRA5RORCSTAT3DYRK2
SCHEMBL17859305 0.80 LIPC (0.40) RORCLIPC
SCHEMBL16345134 0.80 PAK4 (0.56) PAK4GABRA5STAT3NAMPT
SCHEMBL17844722 0.80 PAK4 (0.43) PAK4GABRA5STAT3DDR1NAMPT

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 2240/4885RORC 47/4885

“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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