SCHEMBL5828592

SCHEMBL5828592

CCCn1cnc2c(NCc3ccc(Cl)cc3)nc(N(CCO)CCO)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 12/20 0.70
CCNE1 P24864 12/20 0.70
CDK2 P24941 12/20 0.70
CCNK O75909 5/20 0.57
CDK12 Q9NYV4 5/20 0.57
CTSL P07711 3/20 0.56
CTSB P07858 1/20 0.56
CCNT1 O60563 1/20 0.56
PDE5A O76074 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK5 Q00535 1/20 0.56
PDE4D Q08499 1/20 0.56
CDK5R1 Q15078 1/20 0.56
PDE10A Q9Y233 1/20 0.56

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
SCHEMBL5828753 0.95 CCNE2 (0.65) CCNE2CCNE1CDK2CCNKCDK12
SCHEMBL5827744 0.89 CCNE2 (0.89) CCNE2CCNE1CDK2CCNKCDK12
SCHEMBL5827557 0.88 CCNE2 (0.67) CCNE2CCNE1CDK2CCNKCDK12
SCHEMBL3680752 0.83 CCNE1 (0.82) CCNE2CCNE1CDK2CCNT1PDE5A
SCHEMBL6152650 0.82 CTSL (0.69) CCNE2CCNE1CDK2CTSLCTSB
SCHEMBL5828466 0.81 CCNE2 (0.56) CCNE2CCNE1CDK2CCNKCDK12
SCHEMBL27581375 0.80 CTSL (0.63) CCNE2CCNE1CDK2CTSLCTSB
SCHEMBL5828748 0.79 CCNE1 (0.75) CCNE2CCNE1CDK2CCNT1PDE5A
SCHEMBL5827675 0.76 CDK2 (0.75) CCNE1CDK2CTSLCTSBCDK1
SCHEMBL5828677 0.76 CTSL (0.58) CCNE2CCNE1CDK2CTSLCTSB

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-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US claimed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 CCNE2 65/4885CCNE1 51/4885CDK2 5/4885

“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.