SCHEMBL18530640

SCHEMBL18530640

Nc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2F)cc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.46
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ APP P05067 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ PAK4 O96013 2/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ PAK1 Q13153 1/20 0.42
▸ GRM2 Q14416 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40

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
SCHEMBL18530571 0.89 HDAC1 (0.55) FASNHDAC1HDAC3KCNH2HDAC2
SCHEMBL18530591 0.87 FASN (0.46) FASNAPPCYP3A4CYP2C9CYP2C19
SCHEMBL18530530 0.86 FASN (0.49) FASNHDAC1APPCYP3A4CYP2C9
SCHEMBL18530502 0.81 PAK4 (0.42) FASNAPPCYP3A4CYP2C9CYP2C19
SCHEMBL28217178 0.80 PAK4 (0.44) FASNAPPCYP3A4CYP2C9CYP2C19
SCHEMBL16380105 0.78 PAK4 (0.55) FASNKCNH2HRH3PAK4NAMPT
SCHEMBL18530622 0.77 FASN (0.38) FASNAPPCYP3A4CYP2C9CYP2C19
SCHEMBL21166248 0.77 SLC6A7 (0.57) FASNHSD11B1ABL1BCR
SCHEMBL18325929 0.76 PAK4 (0.53) FASNKCNH2HRH3PAK4NAMPT
SCHEMBL21143166 0.76 PAK4 (0.45) FASNAPPCYP3A4CYP2C9CYP2C19

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 5 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
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 FASN 1954/4885HDAC1 890/4885HDAC3 1053/4885

“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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