SCHEMBL1894768

SCHEMBL1894768

COc1ccccc1Nc1ncc2c(n1)-c1c(c(C(=O)O)nn1C)CC2

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.84
▸ CCNA2 P20248 16/20 0.84
▸ CDK2 P24941 16/20 0.84
▸ CCNA1 P78396 16/20 0.84
▸ PLK3 Q9H4B4 11/20 0.84
▸ PLK2 Q9NYY3 11/20 0.84
▸ AURKA O14965 8/20 0.84
▸ TTK P33981 5/20 0.84
▸ CDK4 P11802 1/20 0.63
▸ CCND3 P30281 1/20 0.63
▸ CDK6 Q00534 1/20 0.63
▸ IGF1R P08069 1/20 0.62

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
SCHEMBL3502835 0.92 PLK1 (1.00) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL3505811 0.88 PLK1 (0.78) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL1560127 0.85 TTK (1.00) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL4154945 0.85 CDK2 (1.00) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL23855770 0.83 CDK2 (0.84) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL1559725 0.82 TTK (0.81) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL3504627 0.81 PLK1 (1.00) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL1889494 0.81 TTK (0.79) PLK1AURKATTKIGF1R
SCHEMBL15378078 0.81 TTK (0.91) PLK1CCNA2CDK2CCNA1PLK3
SCHEMBL1559694 0.81 PLK1 (0.59) PLK1CCNA2CDK2CCNA1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303891-B1 PYRAZOLO-QUINAZOLINES AS PROTEIN KINASE ACTIVITY MODULATORS SERVIER LAB (FR) 2016-02-17 — — EP disclosed
US-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 — — US disclosed
US-20110105542-A1 PYRAZOLO--QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 — — 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-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 PLK1 32/4885CCNA2 690/4885CDK2 123/4885

“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.

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