SCHEMBL20049878

SCHEMBL20049878

CCCCCC(C)(CCCC)c1cnc(NC(C)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CCNE2 O96020 9/20 0.43
CDK1 P06493 5/20 0.43
CDK4 P11802 5/20 0.43
CCNB2 O95067 4/20 0.43
CCNB1 P14635 4/20 0.43
CCND1 P24385 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
LMNA P02545 3/20 0.39

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
SCHEMBL21389733 0.75 CCNE1 (0.49) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL18411096 0.75 CNR1 (0.33) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21650157 0.73 CNR1 (0.34) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22585244 0.73 CNR2 (0.32)
SCHEMBL21369612 0.71 CCNE1 (0.45) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL22065923 0.70 L3MBTL1 (0.34) LMNARAB9A
SCHEMBL18948731 0.69
SCHEMBL18867167 0.69
SCHEMBL18135139 0.68 CDK2 (0.64) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL18950500 0.68 CNR1 (0.33)

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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CCNE1 425/4885CDK2 77/4885CCNE2 908/4885

“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.