SCHEMBL18530532

SCHEMBL18530532

O=C(c1ccc(-c2ccc(Br)c(-c3ccc(F)cc3)c2)cc1)N1CCC(F)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ SLC6A7 Q99884 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR183 P32249 3/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ PAK4 O96013 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ HSD11B1 P28845 2/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43

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
SCHEMBL18530591 0.89 FASN (0.46) FASNMEN1KMT2AGPR183PAK4
SCHEMBL21166248 0.86 SLC6A7 (0.57) FASNPTPN1SLC6A7MEN1KMT2A
SCHEMBL18530571 0.86 HDAC1 (0.55) FASNPTPN1HDAC3HDAC1SLC6A7
SCHEMBL18530639 0.83 SLC6A7 (0.52) FASNSLC6A7CA12CA1CA2
SCHEMBL18530550 0.81 FASN (0.44) FASNSLC6A7KMT2AABL1BCR
SCHEMBL18530576 0.81 SLC6A4 (0.46) FASNPTPN1HDAC3HDAC1SLC6A7
SCHEMBL18530583 0.81 HDAC3 (0.48) FASNPTPN1HDAC3HDAC1SLC6A7
SCHEMBL19066899 0.79 BCL9 (0.52) FASNHDAC3HDAC1SLC6A7ABL1
SCHEMBL18530609 0.79 FASN (0.45) FASNPTPN1HDAC3HDAC1SLC6A7
SCHEMBL28217078 0.78 PAK4 (0.51) FASNPTPN1HDAC3HDAC1SLC6A7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — 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
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — 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-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — WO disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — 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
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 (3 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 1954/4885PTPN1 468/4885HDAC3 1053/4885
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 FASN 4071/4885PTPN1 1274/4885HDAC3 1462/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 FASN 4071/4885PTPN1 1274/4885HDAC3 1462/4885

“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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