SCHEMBL18530534

SCHEMBL18530534

O=C(c1ccc(-c2ccc(Br)c(Cl)c2)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ PAK4 O96013 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.39
▸ STAT3 P40763 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ ADRA1A P35348 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
SCHEMBL18530614 0.87 PAK4 (0.43) HPGDLRRK2PAK4GABRA5VNN1
SCHEMBL18530635 0.85 STAT3 (0.44) HPGDPAK4GABRA5VNN1HRH3
SCHEMBL18530550 0.85 FASN (0.44) HPGD
SCHEMBL31622713 0.79 GABRA5 (0.45) HPGDLRRK2PAK4GABRA5VNN1
SCHEMBL23675189 0.78 VNN1 (0.46) HPGDLRRK2GABRA5VNN1HTR1A
SCHEMBL29565236 0.78 VNN1 (0.46) HPGDLRRK2GABRA5VNN1HTR1A
SCHEMBL18530579 0.77 PAK4 (0.44) HPGDLRRK2PAK4GABRA5HRH3
SCHEMBL18542146 0.77 KMO (0.43) HPGDPAK4GABRA5VNN1HRH3
SCHEMBL18530600 0.77 STAT3 (0.42) HPGDPAK4GABRA5VNN1HRH3
SCHEMBL18530652 0.76 PAK4 (0.38) HPGDLRRK2PAK4GABRA5HRH3

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 HPGD 326/4885LRRK2 752/4885PAK4 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.

Send feedback