SCHEMBL1107405

SCHEMBL1107405

CCOP(=O)(Cc1ccc(C)nc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPY5R Q15761 1/20 0.39
PTK2 Q05397 3/20 0.39
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
BTK Q06187 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
SCHEMBL2889261 0.86 CCNT1 (0.42) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL1107408 0.82 GABRP (0.44) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL2695837 0.82 ALDH1A1 (0.43) KDM4ENPY5RPTK2MAPTGAA
SCHEMBL12304557 0.82 TLR8 (0.38) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL18713934 0.81 TSHR (0.39) KDM4ETSHRSMN1; SMN2GAA
SCHEMBL3375825 0.80 TSHR (0.50) NPY5RPTK2CCNT1CDK9TSHR
SCHEMBL12171435 0.80 CCNT1 (0.38) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL21408253 0.80 TLR8 (0.37) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL21408260 0.80 TLR8 (0.37) KDM4ENPY5RPTK2CCNT1CDK9
SCHEMBL31418399 0.80 TLR8 (0.37) KDM4ENPY5RPTK2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
WO-2010029461-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS PFIZER INC. (US) 2010-03-18 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK KDM4E 2426/4885NPY5R 1779/4885PTK2 1337/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KDM4E 2019/4885NPY5R 1676/4885PTK2 1028/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 KDM4E 2068/4885NPY5R 1044/4885PTK2 1392/4885

“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.