SCHEMBL50418

SCHEMBL50418

CCc1coc(CCNC(C)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
MTNR1A P48039 10/20 0.42
MTNR1B P49286 6/20 0.42
KDM4E B2RXH2 2/20 0.40
F13A1 P00488 1/20 0.40
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NQO2 P16083 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL50623 0.82 MTNR1A (0.43) MTNR1AMTNR1BKDM4EF13A1QPCT
SCHEMBL11540720 0.71 CCNE2 (0.48) CCNE2CCNE1CDK2KDM4ENPSR1
SCHEMBL12662788 0.71 MTNR1A (0.39) MTNR1AMTNR1BKDM4EF13A1QPCT
SCHEMBL22482074 0.70 MTNR1A (0.46) MTNR1AMTNR1BKDM4EF13A1QPCT
SCHEMBL2552259 0.70 HTT (0.50) KDM4EHTTNPSR1NQO2SMN1; SMN2
SCHEMBL50534 0.70 CCNB2 (0.48) CCNE2CCNE1CDK2MTNR1AMTNR1B
SCHEMBL48962 0.70 TAAR1 (0.35) CCNE2CCNE1CDK2
SCHEMBL2557675 0.69 ACHE (0.46)
SCHEMBL2557942 0.69 HTT (0.49) KDM4EHTTNPSR1NQO2SMN1; SMN2
SCHEMBL27959576 0.67 SORT1 (0.37) CCNE2CCNE1CDK2

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-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B CCNE2 343/4885CCNE1 135/4885CDK2 50/4885

“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.