SCHEMBL19742258

SCHEMBL19742258

NCc1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ LIPC P11150 1/20 0.41
▸ GRM2 Q14416 4/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ BCR P11274 2/20 0.39
▸ FASN P49327 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38

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
SCHEMBL19753618 0.91 PAK4 (0.44) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL19753617 0.90 PAK4 (0.50) PAK4NAMPTPAK1GRM2DPP4
SCHEMBL17844682 0.88 PAK4 (0.47) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL19753613 0.86 LIPC (0.44) PAK4NAMPTPAK1LIPCFASN
SCHEMBL17859309 0.84 LIPC (0.41) PAK4NAMPTPAK1LIPCABL1
SCHEMBL18541435 0.83 PAK4 (0.48) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL17844683 0.81 PAK4 (0.41) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL18541394 0.80 PAK4 (0.52) PAK4NAMPTPAK1LIPCGRM2
SCHEMBL17859226 0.80 NAMPT (0.71) PAK4NAMPTPAK1LIPCHDAC3
SCHEMBL19753612 0.78 LIPC (0.43) LIPCFASNSLC6A7

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
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 1077/4885NAMPT 1646/4885PAK1 1131/4885

“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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