SCHEMBL17844699

SCHEMBL17844699

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2n1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.39
▸ STAT3 P40763 5/20 0.39
▸ ATR Q13535 1/20 0.38
▸ PAK4 O96013 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ ADRA1A P35348 1/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ GHSR Q92847 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ SFRP1 Q8N474 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL17844705 0.83 GABRA5 (0.40) GABRA5STAT3ATRPAK4HPGD
SCHEMBL19742271 0.83 STAT3 (0.38) GABRA5STAT3ATRPAK4HPGD
SCHEMBL17844697 0.82 GABRA5 (0.42) GABRA5STAT3PAK4HPGDHRH3
SCHEMBL17844723 0.82 PAK4 (0.38) GABRA5STAT3ATRPAK4HPGD
SCHEMBL17844714 0.82 GABRA5 (0.38) GABRA5STAT3ATRPAK4HPGD
SCHEMBL18317597 0.82 PAK4 (0.42) GABRA5STAT3ATRPAK4HPGD
SCHEMBL19742280 0.80 GABRA5 (0.37) GABRA5STAT3ATRPAK4HPGD
SCHEMBL19742272 0.80 GABRA5 (0.37) GABRA5STAT3ATRPAK4HPGD
SCHEMBL17859531 0.78 NTRK1 (0.40) GABRA5STAT3PAK4HPGDHRH3
SCHEMBL31622717 0.77 GABRA5 (0.43) GABRA5STAT3PAK4HRH3

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 2240/4885STAT3 91/4885ATR 3630/4885

“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