SCHEMBL3221422

SCHEMBL3221422

Cc1ncc(-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)n1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.58
KCNH2 Q12809 6/20 0.58
CDK1 P06493 6/20 0.52
MAPK8 P45983 2/20 0.52
CCNB1 P14635 2/20 0.52
MAPK10 P53779 1/20 0.52
CCNT1 O60563 1/20 0.52
CDK4 P11802 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
CCND3 P30281 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52

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
SCHEMBL3218394 1.00 CDK2 (0.58) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3225412 0.87 CDK2 (0.52) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3230304 0.87 CDK2 (0.57) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3230313 0.87 CDK2 (0.57) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL4193135 0.87 CDK2 (0.59) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL4504031 0.87 CDK2 (0.66) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL4517599 0.87 CDK2 (0.56) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3207219 0.86 CDK2 (0.56) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3207228 0.86 CDK2 (0.56) CDK2KCNH2CDK1MAPK8CCNB1
SCHEMBL3219782 0.86 CDK2 (0.68) CDK2KCNH2CDK1MAPK8CCNB1

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 6 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
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP claimed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO 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 CDK2 3/4885KCNH2 2260/4885CDK1 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.