SCHEMBL5098405

SCHEMBL5098405

CCn1c(-c2ccnc(Nc3ccccc3)n2)cnc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.72
CDK4 P11802 6/20 0.61
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
KDR P35968 1/20 0.50
PLK1 P53350 1/20 0.50
PTK2 Q05397 1/20 0.50
CCNE1 P24864 3/20 0.48
KCNH2 Q12809 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNA2 P20248 2/20 0.48
CCND1 P24385 2/20 0.48
CCND3 P30281 2/20 0.48
CCNA1 P78396 2/20 0.48
GSK3B P49841 2/20 0.48
CCNT1 O60563 1/20 0.48
CSNK2A2 P19784 1/20 0.48

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
SCHEMBL5104957 0.90 CDK2 (0.60) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL5104874 0.87 CDK2 (0.63) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL6598496 0.86 CDK2 (0.55) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL5105343 0.83 CDK2 (0.69) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL6593352 0.82 CDK2 (0.81) CDK2CDK4CCNE1KCNH2CDK1
SCHEMBL4819158 0.80 CDK2 (0.60) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL5098885 0.80 CDK2 (0.78) CDK2CDK4CCNE1KCNH2CDK1
SCHEMBL4821808 0.80 KDR (0.53) CDK2CDK4ABL1EGFRPRKCA
SCHEMBL6104420 0.79 CDK2 (0.59) CDK2CDK4ABL1PRKCAPRKCD
SCHEMBL4025419 0.79 CDK2 (0.64) CDK2CDK4ABL1EGFRPRKCA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 US disclosed
US-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB 2006-01-05 US disclosed
US-6969714-B2 Imidazolo-5-YL-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB (SE) 2005-11-29 US disclosed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO disclosed
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration ASTRAZENECA AB (SE) 2004-01-22 US disclosed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP disclosed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 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 (3 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-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation MKI67, CCNI, CCNT1 CDK2 13/4885CDK4 27/4885ABL1 173/4885
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 CDK2 2/4885CDK4 5/4885ABL1 560/4885
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration CCNI, TYMP, MKI67 CDK2 11/4885CDK4 27/4885ABL1 822/4885

“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.