SCHEMBL20189514

SCHEMBL20189514

C=CCCCNc1nccc(C(=O)Nc2cnc(F)cc2N2CCN(CC=C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MAPK10 P53779 10/20 0.41
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
MAPK8 P45983 6/20 0.40
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL29742268 1.00 ADRA1D (0.42) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20209722 0.88 MAPK10 (0.39) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20189746 0.88 MAPK10 (0.39) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL29742200 0.88 MAPK10 (0.39) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20209251 0.86 MAPK10 (0.40) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL29742325 0.86 MAPK10 (0.40) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20189887 0.86 MAPK10 (0.40) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20190708 0.85 GSK3A (0.42) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL29742368 0.85 MAPK10 (0.41) ADRA1DADRA1AADRA1BMAPK10GSK3A
SCHEMBL20189471 0.85 MAPK10 (0.41) ADRA1DADRA1AADRA1BMAPK10GSK3A

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 10 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
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 ADRA1D 3935/4885ADRA1A 4129/4885ADRA1B 3929/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ADRA1D 3935/4885ADRA1A 4129/4885ADRA1B 3929/4885

“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.