SCHEMBL5996576

SCHEMBL5996576

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.57
F13A1 P00488 7/20 0.57
TGM1 P22735 4/20 0.57
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GPR119 Q8TDV5 1/20 0.46
FAAH O00519 3/20 0.46
CCNK O75909 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45

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
SCHEMBL5998022 0.87 TGM2 (0.61) TGM2F13A1TGM1MAPTGPR119
SCHEMBL5445702 0.87 TGM2 (0.60) TGM2F13A1TGM1MAPTGPR119
SCHEMBL5438605 0.85 TGM2 (0.61) TGM2F13A1TGM1GPR119CCNK
SCHEMBL5995627 0.85 MAPT (0.51) MAPTALDH1A1LMNACCNKCCNA2
SCHEMBL2498320 0.85 NAMPT (0.57) MAPTALDH1A1LMNAGPR119CDK2
SCHEMBL14490207 0.85 TGM2 (0.64) TGM2F13A1TGM1GPR119CCNK
SCHEMBL1871080 0.83 ALDH1A1 (0.67) TGM2F13A1TGM1MAPTALDH1A1
SCHEMBL5447139 0.81 TGM2 (0.60) TGM2F13A1TGM1CCNKCCNA2
SCHEMBL5443778 0.81 TGM2 (0.55) TGM2F13A1TGM1GPR119
SCHEMBL5443775 0.81 TGM2 (0.55) TGM2F13A1TGM1GPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US 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 (1 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK TGM2 3826/4885F13A1 3994/4885TGM1 1883/4885

“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.