SCHEMBL18530583

SCHEMBL18530583

NNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ PAK4 O96013 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ FASN P49327 2/20 0.43
▸ SLC6A7 Q99884 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LIPC P11150 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39

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
SCHEMBL18530576 0.85 SLC6A4 (0.46) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL18530571 0.83 HDAC1 (0.55) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL21166248 0.81 SLC6A7 (0.57) PTPN1ABL1BCRFASNSLC6A7
SCHEMBL18530532 0.81 FASN (0.47) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL19066899 0.78 BCL9 (0.52) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL19082515 0.76 PAK4 (0.47) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL18530519 0.76 PAK4 (0.47) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL18530537 0.76 FASN (0.43) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL28217078 0.76 PAK4 (0.51) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL18530615 0.76 FASN (0.45) HDAC3HDAC1PAK4NAMPTPAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 — — US disclosed
EP-3337796-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics, Inc. (US) 2018-06-27 — — EP disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — 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-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators NAMPT, PAK3, PAK5 HDAC3 1053/4885HDAC1 890/4885PAK4 7/4885

“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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