SCHEMBL18530639

SCHEMBL18530639

O=C(c1ccc(-c2ccc(Br)c(-c3cccc(Cl)c3)c2)cc1)N1CCC(F)(F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 5/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HPGD P15428 5/20 0.48
▸ MGLL Q99685 1/20 0.46
▸ FASN P49327 3/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL18530527 0.87 SLC6A7 (0.52) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL18530532 0.83 FASN (0.47) SLC6A7FASNCA12CA1CA2
SCHEMBL18530550 0.82 FASN (0.44) SLC6A7SLC6A3HPGDFASNJAK2
SCHEMBL18530601 0.79 SLC6A7 (0.43) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL18530486 0.77 SLC6A7 (0.42) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL16380012 0.77 PAK4 (0.51) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL18325914 0.77 PAK4 (0.49) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL21143154 0.76 SLC6A7 (0.41) SLC6A7SLC6A3HPGDMGLLFASN
SCHEMBL18530591 0.75 FASN (0.46) HPGDMGLLFASNALDH1A1CYP3A4
SCHEMBL17389700 0.74 FASN (0.74) SLC6A7SLC6A3FASN

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 SLC6A7 423/4885SLC6A3 888/4885HPGD 326/4885

“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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