SCHEMBL4248467

SCHEMBL4248467

CC(C)n1c(-c2ccnc(N)n2)cnc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.54
CDC7 O00311 6/20 0.47
CDK9 P50750 3/20 0.41
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
MAP3K14 Q99558 1/20 0.40
KCNH2 Q12809 2/20 0.38
MAPK14 Q16539 2/20 0.38
CCNA2 P20248 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CDK1 P06493 2/20 0.36

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
SCHEMBL1447097 0.80 CDC7 (0.48) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL278830 0.79 CDK2 (0.56) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL5258483 0.76 CDC7 (0.46) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL4031036 0.75 CDK2 (0.45) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL30310198 0.75 CDC7 (0.46) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL4030180 0.70 CDK2 (0.46) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL4022128 0.70 CDK2 (0.47) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL6596532 0.68 DYRK1A (0.45) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL5109260 0.68 MAPK14 (0.49) CDK2CDC7CDK9DYRK3CCNT1
SCHEMBL4020333 0.68 CDC7 (0.53) CDK2CDC7CDK9DYRK3CCNT1

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-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 WO disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CDK2 4/4885CDC7 90/4885CDK9 10/4885
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA CDK2 23/4885CDC7 175/4885CDK9 79/4885

“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.