SCHEMBL20189853

SCHEMBL20189853

C=CCCCNc1nccc(C(=O)Nc2cnc(F)cc2N2CCOC(C=C)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.36
GSK3A P49840 8/20 0.36
NTRK1 P04629 2/20 0.34
MAP4K1 Q92918 2/20 0.34
FLT3 P36888 2/20 0.34
PRKAA1 Q13131 1/20 0.34
MAPT P10636 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
JAK2 O60674 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
TYK2 P29597 1/20 0.32
SYK P43405 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCQ Q04759 1/20 0.32
AURKB Q96GD4 1/20 0.32
MERTK Q12866 2/20 0.32

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
SCHEMBL29742264 1.00 GSK3B (0.36) GSK3BGSK3ANTRK1MAP4K1FLT3
SCHEMBL20189325 0.86 GSK3B (0.38) GSK3BGSK3ANTRK1MAP4K1FLT3
SCHEMBL29742268 0.84 ADRA1D (0.42) GSK3BGSK3AFLT3ADRA1DADRA1A
SCHEMBL20189514 0.84 ADRA1D (0.42) GSK3BGSK3AFLT3ADRA1DADRA1A
SCHEMBL20189746 0.74 MAPK10 (0.39) GSK3BGSK3AADRA1DADRA1AADRA1B
SCHEMBL20209722 0.74 MAPK10 (0.39) GSK3BGSK3AADRA1DADRA1AADRA1B
SCHEMBL29742200 0.74 MAPK10 (0.39) GSK3BGSK3AADRA1DADRA1AADRA1B
SCHEMBL20205097 0.73 IRAK4 (0.46) GSK3BGSK3AMAPTIRAK4
SCHEMBL20204946 0.71 IRAK4 (0.45) GSK3BGSK3ANTRK1MAPTIRAK4
SCHEMBL29938993 0.71 IRAK4 (0.45) GSK3BGSK3ANTRK1MAPTIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198934-B Pyrimidine carboxamides as GSK-3 inhibitors 百时美施贵宝公司 2022-07-22 CN disclosed
US-11053258-B2 Pyrimidine carboxamides as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-11053258-B2 Pyrimidine carboxamides as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3544968-B1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-30 EP disclosed
EP-3544968-B1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-30 EP disclosed
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-11 US disclosed
EP-3544968-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
WO-2018098413-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098413-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 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-11053258-B2 Pyrimidine carboxamides as GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885NTRK1 3903/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885NTRK1 3903/4885

“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.