SCHEMBL1786136

SCHEMBL1786136

C[C@H](CO)Cn1cnc(CCN)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTOR P42345 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CPB2 Q96IY4 13/20 0.43
CPB1 P15086 6/20 0.36
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL1786139 1.00 CYP2C9 (0.49) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12608297 0.86 CPB2 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL3712700 0.83 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL3708000 0.82 TDP1 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28875894 0.78 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1702282 0.77 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1787074 0.76 CYP2C9 (0.54) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28704555 0.75 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL589342 0.74 CYP2C9 (0.60) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL15020818 0.72 CPB2 (0.54) CYP2C9TSHRCYP2C19MTORHRH4

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-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
EP-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 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 (3 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-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK1 CYP2C9 2399/4885TSHR 991/4885CYP2C19 2191/4885
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK3 CYP2C9 2364/4885TSHR 929/4885CYP2C19 2116/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 CYP2C9 4604/4885TSHR 1271/4885CYP2C19 4364/4885

“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.