SCHEMBL4901026

SCHEMBL4901026

COC(=O)c1ccc2[nH]nc(C(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAP2K4 P45985 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
FLT3 P36888 1/20 0.45
KIF11 P52732 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
CREBBP Q92793 1/20 0.43
PSMB8 P28062 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL30147682 0.87 MAP2K4 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4898881 0.84 MAP2K4 (0.50) KMT2AKDM4EALDH1A1HPGDMAP2K4
SCHEMBL29690736 0.83 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4783157 0.82 JAK2 (0.47) KDM4EALDH1A1MAPK3MAPK1
SCHEMBL1501529 0.81 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2671105 0.81 MAP2K4 (0.52) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16929779 0.81 JAK2 (0.58) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27145740 0.80 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23675227 0.79 MAP2K4 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9985941 0.79 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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 (2 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 MEN1 2284/4885KMT2A 3438/4885KDM4E 2290/4885
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MEN1 2376/4885KMT2A 758/4885KDM4E 1212/4885

“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.