SCHEMBL18530522

SCHEMBL18530522

COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ FASN P49327 2/20 0.43
▸ USP7 Q93009 1/20 0.41
▸ USP2 O75604 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PDE5A O76074 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
SCHEMBL18530576 0.84 SLC6A4 (0.46) HPGDFASNUSP2SMN1; SMN2ALDH1A1
SCHEMBL28883069 0.80 CRBN (0.54) HPGDUSP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL18530550 0.80 FASN (0.44) HPGDFASNMAPK1SMN1; SMN2ALDH1A1
SCHEMBL18529770 0.80 LRRK2 (0.47) HPGDLRRK2FASNMAPK1ALDH1A1
SCHEMBL2884923 0.75 PDK2 (0.57) HPGDPDK2SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL28355609 0.75 HPGD (0.61) HPGDPDK2ALDH1A1TSHRKMT2A
SCHEMBL18530516 0.75 FASN (0.39) HPGDLRRK2FASNMAPK1SMN1; SMN2
SCHEMBL18529783 0.74 HTR1A (0.48) HTR1ADRD2ADRA1A
SCHEMBL18529798 0.74 HSD11B1 (0.42) HPGDLRRK2FASNMAPK1SMN1; SMN2
SCHEMBL21166248 0.73 SLC6A7 (0.57) HPGDFASNMAPK1ALDH1A1ABL1

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
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
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US 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 752/4885PDK2 1864/4885

“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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