SCHEMBL2498320

SCHEMBL2498320

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
GPR119 Q8TDV5 10/20 0.49
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
STS P08842 2/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
KDR P35968 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL2498551 0.88 NAMPT (0.60) NAMPTGPR119MAPTSTSPTPN2
SCHEMBL5440869 0.85 NAMPT (0.57) NAMPTGPR119STSCDK1CDK2
SCHEMBL5996576 0.85 TGM2 (0.57) GPR119MAPTALDH1A1LMNACDK2
SCHEMBL1871191 0.84 ALDH1A1 (0.61) NAMPTGPR119MAPTALDH1A1LMNA
SCHEMBL5444087 0.82 NAMPT (0.54) NAMPTGPR119STSCDK1CDK2
SCHEMBL5995627 0.82 MAPT (0.51) MAPTALDH1A1LMNACDK2
SCHEMBL14490301 0.81 NAMPT (0.51) NAMPTGPR119CDK1CDK2KDR
SCHEMBL14490275 0.81 NAMPT (0.55) NAMPTGPR119MAPTCDK1CDK2
SCHEMBL5423543 0.81 NAMPT (0.48) NAMPTGPR119MAPTALDH1A1LMNA
SCHEMBL5423545 0.81 NAMPT (0.48) NAMPTGPR119MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 NAMPT 1021/4885GPR119 1437/4885MAPT 3941/4885

“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.