SCHEMBL16585093

SCHEMBL16585093

O=CCOc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ STAT3 P40763 11/20 0.39
▸ HPGD P15428 2/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.36

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
SCHEMBL16585293 0.90 PAK4 (0.39) PAK4GABRA5STAT3HPGDKDM4E
SCHEMBL16584923 0.90 PAK4 (0.39) PAK4GABRA5STAT3HPGDKDM4E
SCHEMBL16584924 0.90 PAK4 (0.39) PAK4GABRA5STAT3HPGDKDM4E
SCHEMBL18704598 0.87 HPGD (0.43) PAK4GABRA5STAT3HPGDHSD17B10
SCHEMBL16585117 0.87 S1PR1 (0.41) PAK4GABRA5STAT3HRH3
SCHEMBL16593025 0.86 GABRA5 (0.38) PAK4GABRA5STAT3HPGD
SCHEMBL16593022 0.86 GABRA5 (0.38) PAK4GABRA5STAT3HPGD
SCHEMBL16585033 0.84 GABRA5 (0.42) PAK4GABRA5STAT3
SCHEMBL16585177 0.84 STAT3 (0.39) PAK4GABRA5STAT3HPGDLRRK2
SCHEMBL18542146 0.83 KMO (0.43) PAK4GABRA5STAT3HPGDKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 — — US disclosed
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 — — US disclosed
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 — — US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 — — US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 — — US disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 — — WO disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 — — 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-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 PAK4 1/4885GABRA5 3598/4885STAT3 217/4885

“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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