SCHEMBL3070139

SCHEMBL3070139

O=Cc1nc2ccccn2c1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 3/20 0.47
RAD51 Q06609 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2A6 P11509 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL28570789 0.85 HSP90AA1 (0.47) KDM4EGAAMAPTNPSR1ALDH1A1
SCHEMBL3084111 0.84 HSP90AA1 (0.44) KDM4EGAARAD51MAPTNPSR1
SCHEMBL11026812 0.78 USP7 (0.60) KDM4EMAPK1GAARAD51ALDH1A1
SCHEMBL3089794 0.76 USP7 (0.44) KDM4EGAAMAPTNPSR1ALDH1A1
SCHEMBL5384466 0.76 ALDH1A1 (0.41) KDM4EGAAMAPTNPSR1ALDH1A1
SCHEMBL3077074 0.75 MAPK1 (0.47) KDM4EMAPK1GAARAD51ALDH1A1
SCHEMBL1730262 0.74 MARK4 (0.52) KDM4EMAPK1GAARAD51MAPT
SCHEMBL3081815 0.74 CNR2 (0.47) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL22615013 0.73 NR1I3 (0.52) KDM4EMAPK1GAANPC1RAB9A
SCHEMBL17331468 0.72 ERN1 (0.46) RAD51ALDH1A1CYP3A4CYP2E1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 KDM4E 2460/4885MAPK1 2628/4885GAA 196/4885

“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.