SCHEMBL1786450

SCHEMBL1786450

CC(C)(C)c1cnc(CCN)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.46
CCNE2 O96020 11/20 0.41
CCNE1 P24864 11/20 0.41
CDK1 P06493 8/20 0.37
CCNB1 P14635 8/20 0.37
CCNB2 O95067 7/20 0.37
CCNB3 Q8WWL7 7/20 0.37
CDK4 P11802 6/20 0.37
CCND1 P24385 6/20 0.37
CCND2 P30279 4/20 0.37
CCND3 P30281 4/20 0.37
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
HTR1D P28221 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
Hydrochloric Acid SCHEMBL3710324 0.98 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL13827907 0.82 CDK2 (0.44) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL3467447 0.80 CDK2 (0.43) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL21325489 0.80 CDK2 (0.43) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL13188146 0.77 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL10268216 0.77 CDK2 (0.46) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL18613960 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL12142296 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL3468710 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL5724749 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1

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
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed
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-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-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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO 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
EP-1689391-A2 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) 2006-08-16 EP disclosed
WO-2005021519-A2 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) 2005-03-10 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 (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 CDK2 69/4885CCNE2 1488/4885CCNE1 1285/4885
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 CDK2 64/4885CCNE2 1460/4885CCNE1 1284/4885
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 CDK2 381/4885CCNE2 3342/4885CCNE1 1755/4885

“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.