SCHEMBL3225078

SCHEMBL3225078

Cc1ncc(-c2nc(NC3CCC(N)CC3)ncc2F)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.53
CDK2 P24941 15/20 0.52
CDK1 P06493 7/20 0.52
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
CCNK O75909 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CDK13 Q14004 1/20 0.51
CDK12 Q9NYV4 1/20 0.51

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
SCHEMBL3225072 1.00 KCNH2 (0.53) KCNH2CDK2CDK1MAPK8MAPK10
SCHEMBL3210701 0.94 KCNH2 (0.52) KCNH2CDK2CDK1MAPK8MAPK10
SCHEMBL3210714 0.94 KCNH2 (0.52) KCNH2CDK2CDK1MAPK8MAPK10
SCHEMBL3210708 0.94 KCNH2 (0.52) KCNH2CDK2CDK1MAPK8MAPK10
SCHEMBL3217699 0.87 CDK2 (0.56) KCNH2CDK2CDK1
SCHEMBL3217705 0.87 CDK2 (0.56) KCNH2CDK2CDK1
SCHEMBL4195695 0.87 CDK2 (0.52) KCNH2CDK2CDK1MAPK8
SCHEMBL3214604 0.87 KCNH2 (0.52) KCNH2CDK2CDK1
SCHEMBL3214611 0.87 KCNH2 (0.52) KCNH2CDK2CDK1
SCHEMBL4195833 0.83 CDK2 (0.61) KCNH2CDK2CDK1CDK9

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US claimed
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 KCNH2 2260/4885CDK2 3/4885CDK1 38/4885

“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.