SCHEMBL18530550

SCHEMBL18530550

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 7/20 0.44
▸ HPGD P15428 4/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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 0.85 HPGD (0.42) HPGD
SCHEMBL18529770 0.85 LRRK2 (0.47) FASNHPGDJAK2JAK1JAK3
SCHEMBL18530639 0.82 SLC6A7 (0.52) FASNHPGDJAK2JAK1JAK3
SCHEMBL18530532 0.81 FASN (0.47) FASNABL1BCRKMT2ASLC6A7
SCHEMBL18530554 0.80 SLC6A7 (0.43) HPGDMAPK1ABL1BCRPDE4B
SCHEMBL18530522 0.80 HPGD (0.45) FASNHPGDJAK2JAK1JAK3
SCHEMBL18529798 0.78 HSD11B1 (0.42) FASNHPGDJAK2JAK1JAK3
SCHEMBL21166248 0.78 SLC6A7 (0.57) FASNHPGDMAPK1ABL1BCR
SCHEMBL15058756 0.77 ALDH1A1 (0.60) HPGDKMT2AALDH1A1LMNAGAA
SCHEMBL2207893 0.77 HPGD (0.66) HPGDABL1BCRALDH1A1LMNA

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 FASN 1954/4885HPGD 326/4885JAK2 415/4885

“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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