SCHEMBL3227628

SCHEMBL3227628

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.58
CDK2 P24941 16/20 0.56
KCNH2 Q12809 6/20 0.56
CDK4 P11802 4/20 0.56
CDK1 P06493 4/20 0.56
MAPK8 P45983 3/20 0.56
CCNE1 P24864 2/20 0.56
CCNT1 O60563 1/20 0.56
CCNB1 P14635 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CCND3 P30281 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 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
SCHEMBL3227642 1.00 MAPK9 (0.58) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3219960 0.89 MAPK9 (0.62) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3226725 0.89 MAPK9 (0.62) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3207228 0.88 CDK2 (0.56) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3207219 0.88 CDK2 (0.56) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL4515012 0.86 KCNH2 (0.53) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3230313 0.85 CDK2 (0.57) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3230304 0.85 CDK2 (0.57) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3218394 0.83 CDK2 (0.58) MAPK9CDK2KCNH2CDK4CDK1
SCHEMBL3221422 0.83 CDK2 (0.58) MAPK9CDK2KCNH2CDK4CDK1

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 1 patent. 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 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 MAPK9 566/4885CDK2 3/4885KCNH2 2260/4885

“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.