SCHEMBL2237463

SCHEMBL2237463

CCN(CC)c1ccnc2[nH]cc(-c3ccnc(N)n3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 14/20 0.65
CDK5R1 Q15078 14/20 0.65
CCNT1 O60563 12/20 0.65
CDK9 P50750 12/20 0.65
CDK2 P24941 12/20 0.65
CCNA2 P20248 11/20 0.65
CCNA1 P78396 9/20 0.65
PDPK1 O15530 3/20 0.52
HTR1A P08908 2/20 0.46
HTR2B P41595 2/20 0.46
HTR7 P34969 1/20 0.46
HTR5A P47898 1/20 0.46
GSK3B P49841 5/20 0.46
CLK1 P49759 3/20 0.46
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
PRKACA P17612 3/20 0.46
PRKACG P22612 3/20 0.46
PRKACB P22694 3/20 0.46

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
SCHEMBL1838202 0.90 CDK5 (0.66) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL1839867 0.86 CDK5 (0.65) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2237821 0.83 CDK5 (0.59) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL1838854 0.82 CCNT1 (0.66) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL1837429 0.81 CDK5 (0.62) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2238419 0.81 CDK5 (0.69) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL27835143 0.80 CCNT1 (0.55) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL1838234 0.80 CCNT1 (0.57) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL1838729 0.79 CDK5 (0.55) CDK5CDK5R1CCNT1CDK9CDK2
Meriolin 5 SCHEMBL2997013 0.79 CDK5 (1.00) CDK5CDK5R1CCNT1CDK9CDK2

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CDK5 24/4885CDK5R1 41/4885CCNT1 25/4885

“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.