SCHEMBL17844697

SCHEMBL17844697

Cn1c(CNC(=O)O)cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.42
▸ PAK4 O96013 1/20 0.41
▸ STAT3 P40763 4/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.36
▸ PRKAA2 P54646 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 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
SCHEMBL17859531 0.91 NTRK1 (0.40) GABRA5PAK4STAT3HRH3PRKAA2
SCHEMBL17844705 0.89 GABRA5 (0.40) GABRA5PAK4STAT3HRH3HPGD
SCHEMBL17844730 0.85 PAK4 (0.61) GABRA5PAK4STAT3HRH3PRKAA2
SCHEMBL17844729 0.85 PAK4 (0.61) GABRA5PAK4STAT3HRH3PRKAA2
SCHEMBL19742269 0.83 GABRA5 (0.41) GABRA5PAK4STAT3HPGDHTR1A
SCHEMBL17844699 0.82 GABRA5 (0.39) GABRA5PAK4STAT3HRH3HPGD
SCHEMBL17844713 0.82 PAK4 (0.43) GABRA5PAK4STAT3HRH3PTK2
SCHEMBL17844722 0.82 PAK4 (0.43) GABRA5PAK4STAT3HRH3HPGD
SCHEMBL16345134 0.82 PAK4 (0.56) GABRA5PAK4STAT3HRH3
SCHEMBL19753594 0.80 GABRA5 (0.44) GABRA5PAK4STAT3HRH3HPGD

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 GABRA5 2240/4885PAK4 1077/4885STAT3 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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