SCHEMBL18530614

SCHEMBL18530614

Nc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.43
▸ HPGD P15428 5/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ GABRA5 P31644 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ MET P08581 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
SCHEMBL18530534 0.87 HPGD (0.42) PAK4HPGDLRRK2GABRA5VNN1
SCHEMBL18530600 0.85 STAT3 (0.42) PAK4HPGDALOX5APFEN1GABRA5
SCHEMBL18529770 0.85 LRRK2 (0.47) HPGDLRRK2HDAC1
SCHEMBL18530579 0.79 PAK4 (0.44) PAK4HPGDLRRK2ALOX5APFEN1
SCHEMBL18530530 0.79 FASN (0.49) HPGDLRRK2HRH3HTR1AHDAC1
SCHEMBL31622713 0.79 GABRA5 (0.45) PAK4HPGDLRRK2GABRA5VNN1
SCHEMBL18542146 0.77 KMO (0.43) PAK4HPGDGABRA5VNN1HRH3
SCHEMBL18530635 0.77 STAT3 (0.44) PAK4HPGDGABRA5VNN1HRH3
SCHEMBL16345086 0.76 PAK4 (0.41) PAK4HPGDLRRK2GABRA5VNN1
SCHEMBL29611543 0.76 PAK4 (0.41) PAK4HPGDLRRK2GABRA5VNN1

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 PAK4 7/4885HPGD 326/4885LRRK2 752/4885

“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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