SCHEMBL19753597

SCHEMBL19753597

Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc2cc(CN)sc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.44
▸ PAK4 O96013 1/20 0.43
▸ HRH3 Q9Y5N1 9/20 0.39
▸ HPGD P15428 2/20 0.36
▸ STAT3 P40763 3/20 0.36
▸ LIPC P11150 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL19753615 0.93 GABRA5 (0.42) GABRA5PAK4HRH3HPGDSTAT3
SCHEMBL19753596 0.92 GABRA5 (0.44) GABRA5PAK4HRH3HPGDSTAT3
SCHEMBL19753599 0.90 PAK4 (0.35) GABRA5PAK4
SCHEMBL17859536 0.88 PAK4 (0.42) GABRA5PAK4HRH3STAT3
SCHEMBL19753608 0.85 GABRA5 (0.41) GABRA5PAK4HPGDLIPCDDR1
SCHEMBL18325820 0.83 PAK4 (0.54) GABRA5PAK4HRH3HPGDSTAT3
SCHEMBL19753598 0.82 GABRA5 (0.34) GABRA5PAK4HRH3
SCHEMBL19753609 0.81 GABRA5 (0.42) GABRA5PAK4HPGDSTAT3LIPC
SCHEMBL17859426 0.81 PAK4 (0.41) GABRA5PAK4HRH3STAT3
SCHEMBL19753593 0.80 GABRA5 (0.44) GABRA5PAK4HRH3HPGDSTAT3

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 GABRA5 2240/4885PAK4 1077/4885HRH3 4590/4885

“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.

Send feedback