SCHEMBL4852570

SCHEMBL4852570

CCOc1ccc2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.55
▸ CDK2 P24941 19/20 0.55
▸ CCND1 P24385 12/20 0.52
▸ CDK6 Q00534 12/20 0.52
▸ CDK4 P11802 8/20 0.52
▸ CCNT1 O60563 6/20 0.52
▸ CDK9 P50750 6/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ CCNE2 O96020 2/20 0.49

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
SCHEMBL4855986 0.82 NOS2 (0.61) CDK2CCND1CDK4ALDH1A1
SCHEMBL14003195 0.81 MAPK8 (0.67) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL31538947 0.80 CDK2 (0.62) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL1517393 0.77 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL1516739 0.77 CDK2 (0.55) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL1517016 0.75 CDK2 (0.55) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL4899133 0.75 MAPK8 (0.69) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL4857693 0.74 PDE3B (0.45) ALDH1A1
SCHEMBL1517517 0.73 CDK2 (0.55) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30838835 0.72 CDK2 (0.65) CCNE1CDK2CCND1CDK6CDK4

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-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 — — US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 — — US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 — — 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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 CCNE1 747/4885CDK2 245/4885CCND1 1372/4885

“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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