SCHEMBL50579

SCHEMBL50579

CC(=O)NCCc1ncc(C)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
MTNR1A P48039 11/20 0.40
MTNR1B P49286 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4664042 0.83 CCNE2 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL13616184 0.81 CDK2 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL50534 0.81 CCNB2 (0.48) CCNE2CDK4CCND1CCNE1CDK2
Acetic Acid SCHEMBL31591118 0.76 CCNE2 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL24333771 0.74 L3MBTL1 (0.53) CCNE2CCNE1CDK2SMN1; SMN2LMNA
SCHEMBL4632525 0.74 RXRA (0.54) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL22015494 0.73 CCNE1 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4664039 0.72 NR4A2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL22482074 0.71 MTNR1A (0.46) QPCTQPCTLKDM4EF13A1MTNR1A
SCHEMBL4232655 0.71 CCNB2 (0.42) CCNE2CDK4CCND1CCNE1CDK2

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 5 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
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US 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 343/4885CDK4 159/4885CCND1 508/4885

“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.