Sugi Predict

Sugi Predict / Compounds / SCHEMBL6790550

SCHEMBL6790550

SCHEMBL6790550

CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.64
▸ GSK3B P49841 2/20 0.54
▸ MAPK13 O15264 2/20 0.53
▸ MAPK12 P53778 2/20 0.53
▸ MAPK11 Q15759 2/20 0.53
▸ BRD4 O60885 2/20 0.52
▸ BRDT Q58F21 2/20 0.52
▸ BRD2 P25440 1/20 0.52
▸ BRD3 Q15059 1/20 0.52
▸ PIK3CA P42336 1/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ MAP4K4 O95819 2/20 0.49
▸ TNIK Q9UKE5 2/20 0.49
▸ CDK2 P24941 2/20 0.48
▸ CDK4 P11802 1/20 0.47
▸ CCNE1 P24864 1/20 0.47

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
SCHEMBL7047821 0.90 MAPK14 (0.61) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6793163 0.83 MAPK14 (0.64) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL24170737 0.79 MAPK13 (0.65) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL24170847 0.79 MAPK13 (0.65) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6947142 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL4916571 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6794576 0.78 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6791353 0.78 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6957344 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6961445 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 — — US claimed
US-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2002-12-26 — — US claimed
US-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 — — US disclosed
US-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2002-12-26 — — US disclosed
US-6335340-B1 REACTING POLYMER BOUND 2-THIOPYRIMIDINE-4-YL IMINE WITH AN ISONITRILE; OXIDATION TO SULFONE OR SULFOXIDE TO RELEASE; AMINATION; ADMINISTERING AS CYTOKINE, INTERLEUKIN, AND TUMOR NECROSIS INHIBITORS SMITHKLINE BEECHAM CORPORATION 2002-01-01 — — 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-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses IL2, IFNG, IL2RA MAPK14 1513/4885GSK3B 1002/4885MAPK13 1208/4885

“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.