SCHEMBL4566568

SCHEMBL4566568

Cn1nc(N)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CN(C4CC4)C(=O)CO5)cc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.64
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
JAK2 O60674 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
USP2 O75604 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4566237 0.93 FASN (0.64) FASNJAK2SMN1; SMN2METAP2ALDH1A1
SCHEMBL22206674 0.87 FASN (0.48) FASNCDK8CDK19SCN9A
SCHEMBL4559349 0.83 FASN (0.58) FASNJAK2SMN1; SMN2METAP2ALDH1A1
SCHEMBL4561314 0.83 FASN (0.64) FASNCDK8CDK19JAK2SMN1; SMN2
SCHEMBL4562619 0.82 FASN (0.68) FASNSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4542078 0.82 FASN (0.71) FASNJAK2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4561867 0.81 FASN (0.64) FASNCDK19JAK2SMN1; SMN2ALDH1A1
SCHEMBL22206676 0.81 FASN (0.48) FASN
SCHEMBL4541607 0.80 FASN (0.73) FASNJAK2SMN1; SMN2METAP2ALDH1A1
SCHEMBL4539490 0.80 FASN (0.70) FASNSMN1; SMN2ALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20140356430-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS, LLC (US) 2014-12-04 US disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885CDK8 3432/4885CDK19 4014/4885
US-20140356430-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 FASN 739/4885CDK8 2686/4885CDK19 3384/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885CDK8 2534/4885CDK19 3520/4885

“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.