SCHEMBL20189707

SCHEMBL20189707

C=CCCOc1ccncc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
IMPDH2 P12268 2/20 0.39
AOC1 P19801 2/20 0.38
AOC3 Q16853 2/20 0.38
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA1 P00915 2/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 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
SCHEMBL3588383 0.92 IMPDH2 (0.38) KDM4EIMPDH2AOC1AOC3AURKA
SCHEMBL13345451 0.83 IMPDH2 (0.41) IMPDH2AOC1AOC3CA12CA2
SCHEMBL25223936 0.80 KDM4E (0.39) KDM4ECA12CA2CA9CA14
SCHEMBL26601434 0.78 AOC3 (0.43) KDM4EIMPDH2AOC1AOC3ALDH1A1
SCHEMBL31397851 0.78 AOC3 (0.43) KDM4EIMPDH2AOC1AOC3ALDH1A1
SCHEMBL15778646 0.77 AOC3 (0.46) KDM4EAOC1AOC3AURKATTK
SCHEMBL7852541 0.77 ALDH1A1 (0.51) KDM4EAOC1AOC3CA12CA2
SCHEMBL15786894 0.76 AOC3 (0.44) KDM4EAOC1AOC3CA12CA2
SCHEMBL15778559 0.76 CCNT1 (0.43) KDM4EAOC1AOC3AURKATTK
SCHEMBL30069270 0.76 CYP2C9 (0.58) KDM4EAOC1AOC3CA12CA2

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 KDM4E 1619/4885IMPDH2 1273/4885AOC1 4715/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP KDM4E 1619/4885IMPDH2 1273/4885AOC1 4715/4885

“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.