SCHEMBL18530530

SCHEMBL18530530

Nc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.49
▸ LRRK2 Q5S007 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ APP P05067 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTR1A P08908 6/20 0.40
▸ PARP1 P09874 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
SCHEMBL18529770 0.86 LRRK2 (0.47) FASNLRRK2HDAC1KCNH2CYP3A4
SCHEMBL18530640 0.86 FASN (0.46) FASNHDAC1KCNH2HRH3APP
SCHEMBL18530614 0.79 PAK4 (0.43) LRRK2HDAC1HRH3HPGDHTR1A
SCHEMBL18530591 0.77 FASN (0.46) FASNKCNH2HRH3APPCYP3A4
SCHEMBL16380022 0.76 PAK4 (0.46) FASNHTR1A
SCHEMBL18325934 0.74 PAK4 (0.44) FASNHTR1A
SCHEMBL18325926 0.74 PAK4 (0.41) FASNLRRK2HTR1AKMT2A
SCHEMBL18530527 0.74 SLC6A7 (0.52) FASNHDAC1KCNH2CYP3A4CYP2C9
SCHEMBL18530571 0.74 HDAC1 (0.55) FASNHDAC1KCNH2KMT2AMEN1
SCHEMBL18529798 0.73 HSD11B1 (0.42) FASNLRRK2HDAC1KCNH2HPGD

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 1954/4885LRRK2 752/4885HDAC1 890/4885

“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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