SCHEMBL5532840

SCHEMBL5532840

CCOC(=O)C1C2=C(NN1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc(Nc3ccccc3)ncc1CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.50
CCNA2 P20248 17/20 0.50
CCNA1 P78396 14/20 0.50
CDK4 P11802 6/20 0.50
CCND3 P30281 5/20 0.50
CDK6 Q00534 4/20 0.50
AURKA O14965 10/20 0.43
PLK1 P53350 6/20 0.43
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
TTK P33981 3/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42

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
SCHEMBL4155952 0.78 CDK2 (0.48) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL5522139 0.70 MDM2 (0.33)
SCHEMBL13852053 0.68 CDK2 (0.72) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4147545 0.67 CDK2 (0.50) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4154687 0.67 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4156998 0.67 CDK2 (0.68) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL23849905 0.66 CDK2 (0.60) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4154799 0.66 L3MBTL1 (0.38)
SCHEMBL23849889 0.65 CDK2 (0.58) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL12499779 0.64 CDK2 (0.66) CDK2CCNA2CCNA1CDK4CCND3

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-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-08-09 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-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP3K19 CDK2 52/4885CCNA2 1362/4885CCNA1 1080/4885

“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.