SCHEMBL20189547

SCHEMBL20189547

C=CC1CN(c2cc(F)ncc2[N+](=O)[O-])CCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.38
ALDH1A1 P00352 9/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 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
SCHEMBL29742193 1.00 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30051424 0.83 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20189764 0.83 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29742367 0.80
SCHEMBL20189905 0.80
SCHEMBL16702653 0.78 MAPT (0.58) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29742351 0.74 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20189974 0.74 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25244770 0.71 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16702512 0.71 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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 MAPT 301/4885ALDH1A1 3670/4885CYP1A2 1718/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 301/4885ALDH1A1 3670/4885CYP1A2 1718/4885

“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.