SCHEMBL16167705

SCHEMBL16167705

CCCNc1cnc2c(ccn2C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
MERTK Q12866 8/20 0.37
AXL P30530 5/20 0.37
TYRO3 Q06418 5/20 0.37
FLT3 P36888 3/20 0.37
PTGES O14684 1/20 0.37
PIP4K2A P48426 1/20 0.35
AURKA O14965 4/20 0.34
CDK4 P11802 3/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
PDGFRB P09619 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CDK7 P50613 1/20 0.34
NTRK2 Q16620 1/20 0.34
TTK P33981 1/20 0.34

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
SCHEMBL23937881 0.76 PARP1 (0.37) PTGESAURKACDK4INSRCDK1
SCHEMBL18379156 0.74 CCR1 (0.40) AURKACDK4INSRCDK1PDGFRB
SCHEMBL16167704 0.74 GLO1 (0.34) MERTKSRC
SCHEMBL22743595 0.73 AURKA (0.41) MERTKAXLTYRO3FLT3PTGES
SCHEMBL21958555 0.71 DGAT1 (0.38) PIP4K2AAURKACDK4INSRCDK1
SCHEMBL21671860 0.71 NR3C1 (0.37) MERTKAXLTYRO3FLT3PTGES
SCHEMBL16167709 0.71 PTK2 (0.46) SRCKDRCYP1A2
SCHEMBL22743602 0.71 TYRO3 (0.38) CNR2MERTKAXLTYRO3FLT3
SCHEMBL31403633 0.68 PSMD14 (0.43) AURKACDK4ALDH1A1CASP1CASP7
SCHEMBL23937732 0.67 CYP11B1 (0.36) PIP4K2ADRD2SLC6A4MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540400-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-10 US disclosed
US-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-07-14 US disclosed
US-9273069-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-03-01 US disclosed
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-13 US disclosed
US-9040517-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-05-26 US disclosed
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-25 US disclosed
US-8859536-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-14 US 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-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT CNR2 1751/4885MERTK 3753/4885AXL 4308/4885
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT CNR2 1751/4885MERTK 3753/4885AXL 4308/4885
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT CNR2 1751/4885MERTK 3753/4885AXL 4308/4885

“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.