SCHEMBL18530576

SCHEMBL18530576

COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ FASN P49327 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SLC6A7 Q99884 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD11B1 P28845 2/20 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
SCHEMBL18530583 0.85 HDAC3 (0.48) HDAC3HDAC1PTPN1FASNPAK4
SCHEMBL18530522 0.84 HPGD (0.45) FASNHPGDKMT2AABL1BCR
SCHEMBL18530566 0.83 FASN (0.43) HDAC3HDAC1PTPN1FASNPAK4
SCHEMBL21166248 0.81 SLC6A7 (0.57) PTPN1FASNHPGDSLC6A7KMT2A
SCHEMBL18530532 0.81 FASN (0.47) HDAC3HDAC1PTPN1FASNPAK4
SCHEMBL18530571 0.81 HDAC1 (0.55) HDAC3HDAC1PTPN1FASNPAK4
SCHEMBL19082515 0.78 PAK4 (0.47) HDAC3HDAC1PAK4NAMPTPAK1
SCHEMBL28883069 0.77 CRBN (0.54) NAMPTHPGDPOLBALDH1A1GPR183
SCHEMBL19066899 0.76 BCL9 (0.52) HDAC3HDAC1FASNPAK4NAMPT
SCHEMBL28217078 0.76 PAK4 (0.51) HDAC3HDAC1PTPN1FASNPAK4

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 SLC6A4 795/4885SLC6A3 888/4885HDAC3 1053/4885

“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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