SCHEMBL16167709

SCHEMBL16167709

CCCNc1cnc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.46
TRPA1 O75762 5/20 0.40
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PKM P14618 1/20 0.35
CHRNA7 P36544 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL15522202 0.82 PTK2 (0.43) PTK2KCNH2LCKKITSRC
SCHEMBL27255482 0.75 PTK2 (0.45) PTK2CYP1A2KCNH2LCKKIT
SCHEMBL14136858 0.75 PTK2 (0.44) PTK2KCNH2LCKKITSRC
SCHEMBL31591370 0.75 PTK2 (0.44) PTK2KCNH2LCKKITSRC
SCHEMBL27255485 0.75 MAPT (0.43) PTK2LCKKITSRCKDR
SCHEMBL26220773 0.74 TGM2 (0.53) PTK2KDRNR3C1
SCHEMBL31336535 0.74 TGM2 (0.53) PTK2KDRNR3C1
SCHEMBL27255478 0.73 PTK2 (0.42) PTK2CYP1A2KCNH2LCKKIT
SCHEMBL27255480 0.72 PTK2 (0.40) PTK2IRAK4LCKKITSRC
SCHEMBL16167705 0.71 CNR2 (0.38) CYP1A2SRCKDR

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 PTK2 3259/4885TRPA1 3776/4885HIF1A 3629/4885
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT PTK2 3259/4885TRPA1 3776/4885HIF1A 3629/4885
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT PTK2 3259/4885TRPA1 3776/4885HIF1A 3629/4885

“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.