SCHEMBL1391256

SCHEMBL1391256

CCOc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(NC2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.43
▸ CDK2 P24941 18/20 0.43
▸ CCNE2 O96020 2/20 0.43
▸ CCND1 P24385 12/20 0.42
▸ CDK6 Q00534 12/20 0.42
▸ CDK4 P11802 7/20 0.42
▸ CCNT1 O60563 6/20 0.41
▸ CDK9 P50750 6/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTK2 Q05397 1/20 0.39

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
SCHEMBL1391300 0.90 CCNE1 (0.42) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1391933 0.84 CCNE1 (0.44) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL1391898 0.84 CDK2 (0.43) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1391974 0.82 CDK2 (0.42) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1392662 0.82 POLB (0.51) CA1CA2CA9JAK3
SCHEMBL1391043 0.81 EGFR (0.47) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1391784 0.80 CCNE1 (0.46) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1392226 0.77 MEN1 (0.45) CCNE1CDK2CCNE2CCND1CDK6
SCHEMBL1392274 0.77 IDH2 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL1391161 0.77 IDH2 (0.41) CCNE1CDK2CCNE2CCND1CDK6

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
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS CCNE1 1264/4885CDK2 585/4885CCNE2 2594/4885

“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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