SCHEMBL20189471

SCHEMBL20189471

C=CCN1CCN(c2cc(F)ncc2NC(=O)c2ccnc(NCC(C)(C)CC=C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.41
MAPK8 P45983 5/20 0.40
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KDR P35968 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SRPK1 Q96SB4 4/20 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
SCHEMBL29742368 1.00 MAPK10 (0.41) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20209389 0.93 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20189517 0.93 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL29742254 0.93 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20189514 0.85 ADRA1D (0.42) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL29742268 0.85 ADRA1D (0.42) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20209251 0.84 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20189887 0.84 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL29742325 0.84 MAPK10 (0.40) MAPK10MAPK8GSK3AGSK3BADRA1D
SCHEMBL20190708 0.83 GSK3A (0.42) MAPK10MAPK8GSK3AGSK3BADRA1D

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 MAPK10 943/4885MAPK8 934/4885GSK3A 2/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPK10 943/4885MAPK8 934/4885GSK3A 2/4885

“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.