SCHEMBL8916970

SCHEMBL8916970

CCC(Nc1ncccn1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.38
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
CDK5 Q00535 4/20 0.38
DYRK1A Q13627 4/20 0.38
CDK5R1 Q15078 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.35
EIF2AK2 P19525 1/20 0.35
CDK4 P11802 8/20 0.34
CCND1 P24385 8/20 0.34
CCNE1 P24864 8/20 0.34
CDK7 P50613 8/20 0.34
CCNH P51946 8/20 0.34
CDK1 P06493 5/20 0.34
CCNB1 P14635 5/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 4/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL13154005 1.00 CDK2 (0.38) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL9272660 0.78 ALDH1A1 (0.48) ALDH1A1CYP2C19MEN1NPC1RAB9A
SCHEMBL13155604 0.77 KDM4E (0.45) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL10154754 0.73 IDH1 (0.41) CDK5ALDH1A1CYP2C19CDK7LMNA
SCHEMBL10125355 0.73 CYP2C19 (0.39) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL13736558 0.73 IDH1 (0.41) CDK5ALDH1A1CYP2C19CDK7LMNA
SCHEMBL1268977 0.72 ALDH1A1 (0.39) CDK2CCNA2CCNA1CDK5DYRK1A
Isaxonine SCHEMBL1270289 0.72 KCNH3 (0.43) ALDH1A1CYP2C19CDK7LMNAHTT
SCHEMBL24567768 0.71 TLR8 (0.48) ALDH1A1CYP2C19NPC1
SCHEMBL30593321 0.71 TLR8 (0.48) ALDH1A1CYP2C19NPC1

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-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CDK2 130/4885CCNA2 844/4885CCNA1 792/4885

“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.