SCHEMBL4391801

SCHEMBL4391801

Cc1ccc(Nc2nccc(-c3nc(C)c(C)s3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.56
CDK4 P11802 7/20 0.56
ALDH1A1 P00352 2/20 0.54
CCNT1 O60563 4/20 0.52
CDK9 P50750 4/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK7 P50613 2/20 0.52
CCNH P51946 2/20 0.52
CCNA1 P78396 1/20 0.52
ABL1 P00519 4/20 0.50
AURKA O14965 1/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
ABL2 P42684 1/20 0.50
GSK3B P49841 1/20 0.50
MNAT1 P51948 1/20 0.50

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
SCHEMBL4386032 0.84 CDK2 (0.72) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL14561906 0.82 CDK2 (0.72) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL14008810 0.81 CDK2 (0.46) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL4802810 0.81 CDK2 (0.63) CDK2CDK4ALDH1A1CCNT1CDK9
SCHEMBL5311392 0.79 CDK2 (0.48) CDK2CDK4ALDH1A1CCNT1CDK9
SCHEMBL4165935 0.79 CDK2 (0.61) CDK2CDK4ALDH1A1CCNT1CDK9
SCHEMBL13589139 0.79 CDK2 (0.49) CDK2CDK4CDK9CDK1CCNA2
SCHEMBL2086543 0.78 CDK2 (0.61) CDK2CDK4ALDH1A1CCNT1CDK9
SCHEMBL2087336 0.78 CDK2 (0.56) CDK2CDK4ALDH1A1CCNT1CDK9
SCHEMBL3858357 0.78 ABL1 (0.67) CDK2CDK4ALDH1A1ABL1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP claimed
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP disclosed
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US disclosed
EP-1751146-A2 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY Cyclacel Limited (GB) 2007-02-14 EP disclosed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 WO disclosed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 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-20080318954-A1 Compounds CBR3, NR3C2, NR5A1 CDK2 1186/4885CDK4 607/4885ALDH1A1 1920/4885

“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.