SCHEMBL20189402

SCHEMBL20189402

C=CCN1CCN(c2cc(F)ncc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
HTR1A P08908 4/20 0.33
HTR2C P28335 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 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
SCHEMBL20189974 0.78 MAPT (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25211593 0.76 ALDH1A1 (0.53) MAPTHRH3ADRA2CHTR2AALDH1A1
SCHEMBL16702878 0.73 FLT3 (0.37) MAPTALDH1A1DHFRL3MBTL1
SCHEMBL16702620 0.73 LGMN (0.50) MAPTLMNAALDH1A1KDM4EDHFR
SCHEMBL29742367 0.71
SCHEMBL4689782 0.70 BCL2L1 (0.41) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22234968 0.69 PIK3CA (0.34) LMNADRD2DRD3ALDH1A1KDM4E
SCHEMBL2781954 0.69 KDM4E (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4687789 0.68 TMEM97 (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4689822 0.67 GRIN2D (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 301/4885CYP1A2 1718/4885CYP3A4 2146/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 301/4885CYP1A2 1718/4885CYP3A4 2146/4885

“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.