SCHEMBL20189974

SCHEMBL20189974

C=CCN1CCN(c2cc(F)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 8/20 0.44
LMNA P02545 5/20 0.44
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
GPR174 Q9BXC1 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL29742351 1.00 MAPT (0.44) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL25244770 0.79 MAPT (0.59) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL20189402 0.78 MAPT (0.34) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL16702653 0.77 MAPT (0.58) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL16702512 0.77 MAPT (0.40) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL20189547 0.74 MAPT (0.38) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL29742193 0.74 MAPT (0.38) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4689977 0.71 MAPT (0.41) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL22235201 0.71 MAPT (0.44) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3345724 0.70 MAPT (0.57) MAPTALDH1A1LMNACYP1A2CYP2D6

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 3670/4885LMNA 2004/4885
US-20200181170-A1 PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 301/4885ALDH1A1 3670/4885LMNA 2004/4885

“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.