SCHEMBL18530516

SCHEMBL18530516

CC1(C)OB(c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2Cl)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 7/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PDE7B Q9NP56 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19887484 0.91 KMT2A (0.45) HPGDKMT2ALRRK2POLBMAPK1
SCHEMBL18530643 0.84 GLRA1 (0.38) PDE4BPDE4DHPGDALDH1A1LIPC
SCHEMBL15511645 0.79 HPGD (0.57) HPGDKMT2ALRRK2MEN1ALDH1A1
SCHEMBL18529770 0.79 LRRK2 (0.47) FASNPDE5APDE4APDE1APDE1B
SCHEMBL2205382 0.79 POLB (0.41) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL15298920 0.78 POLB (0.51) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL19887477 0.78 HPGD (0.62) HPGDKMT2AALDH1A1POLBMAPK1
SCHEMBL18530550 0.77 FASN (0.44) FASNPDE5APDE4APDE1APDE1B
SCHEMBL21201469 0.76 HSP90AA1 (0.46) HPGDLRRK2ALDH1A1SMN1; SMN2PKM
SCHEMBL18530522 0.75 HPGD (0.45) FASNPDE5APDE4APDE1APDE1B

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 FASN 1954/4885PDE5A 479/4885PDE4A 287/4885

“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