Sugi Predict

Sugi Predict / Compounds / SCHEMBL12779031

SCHEMBL12779031

SCHEMBL12779031

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(C)c(N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.65
▸ MAPK14 Q16539 9/20 0.60
▸ MAPK11 Q15759 6/20 0.56
▸ MAPK13 O15264 5/20 0.56
▸ MAPK12 P53778 5/20 0.56
▸ PTK2 Q05397 6/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ DDR2 Q16832 2/20 0.52
▸ CCNC P24863 1/20 0.52
▸ BRAF P15056 1/20 0.51

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
SCHEMBL5630414 0.87 CDK8 (0.62) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL1504498 0.83 MAPK14 (0.79) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL1598998 0.83 CDK8 (0.66) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL13985764 0.83 GRM5 (0.47) CDK8MAPK14MAPK11PTK2
SCHEMBL1600199 0.82 MAPK14 (0.72) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL1600309 0.80 CDK8 (0.82) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL19303194 0.80 CDK8 (1.00) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL9967321 0.78 CDK8 (0.78) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL29675047 0.78 CDK8 (0.48) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL15946922 0.77 CDK8 (0.76) CDK8MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 — — US disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 — — US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 — — US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 — — US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 — — US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 — — US disclosed
US-7462616-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-09 — — US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 — — US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 — — US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 — — 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 (4 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-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 CDK8 103/4885MAPK14 219/4885MAPK11 255/4885
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 CDK8 103/4885MAPK14 219/4885MAPK11 255/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 CDK8 103/4885MAPK14 219/4885MAPK11 255/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 CDK8 103/4885MAPK14 219/4885MAPK11 255/4885

“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.