SCHEMBL16018754

SCHEMBL16018754

CC(C)c1cnc(Cc2ccc(F)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL23208145 0.83 CCNE1 (0.50) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL16018758 0.79 SLC5A2 (0.43) SLC5A2CCNE1CDK2CDK5GAA
SCHEMBL16020927 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDLMNAGAA
SCHEMBL19220560 0.76 SLC5A2 (0.35) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL13183640 0.74 FYN (0.40) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL13160081 0.74 SLC5A2 (0.41) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL18174959 0.73 CDK2 (0.40) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL13255956 0.73 CCNE1 (0.39) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2
SCHEMBL823519 0.72 RXFP1 (0.46) ALDH1A1SMN1; SMN2HPGDLMNAGAA
SCHEMBL2818339 0.71 CDK2 (0.41) SLC5A2ALDH1A1SMN1; SMN2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 SLC5A2 4778/4885ALDH1A1 1332/4885SMN1; SMN2 4086/4885

“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.