SCHEMBL18530635

SCHEMBL18530635

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 11/20 0.44
▸ TRPV1 Q8NER1 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ SLC6A7 Q99884 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
SCHEMBL18530570 0.89 LRRK2 (0.41) STAT3HPGDKDM4EALDH1A1POLB
SCHEMBL18542146 0.88 KMO (0.43) STAT3PAK4HPGDKDM4EALDH1A1
SCHEMBL18530600 0.88 STAT3 (0.42) STAT3PAK4HPGDKDM4EALDH1A1
SCHEMBL18530534 0.85 HPGD (0.42) STAT3PAK4HPGDGABRA5VNN1
SCHEMBL16585117 0.82 S1PR1 (0.41) STAT3PAK4GABRA5HRH3
SCHEMBL16585093 0.82 PAK4 (0.39) STAT3PAK4HPGDKDM4EALDH1A1
SCHEMBL18704598 0.82 HPGD (0.43) STAT3PAK4HPGDHSD17B10GABRA5
SCHEMBL31622717 0.79 GABRA5 (0.43) STAT3PAK4GABRA5HRH3
SCHEMBL16585293 0.79 PAK4 (0.39) STAT3PAK4HPGDKDM4EALDH1A1
SCHEMBL16584923 0.79 PAK4 (0.39) STAT3PAK4HPGDKDM4EALDH1A1

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 STAT3 331/4885TRPV1 329/4885PAK4 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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