SCHEMBL4033007

SCHEMBL4033007

CCn1nnnc1CCN

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTR1A P08908 1/20 0.34
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL4408138 0.83 ALDH1A1 (0.45) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL25013971 0.83
SCHEMBL4409185 0.79 ALDH1A1 (0.42) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL1303597 0.78
SCHEMBL2056129 0.78
SCHEMBL4404245 0.78 ALDH1A1 (0.41) ALDH1A1HTR1AKMT2ALMNAMEN1
SCHEMBL7304012 0.76 ALDH1A1 (0.40) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL4409151 0.76 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL4032372 0.76 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL14727991 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 ALDH1A1 4022/4885HTR1A 4130/4885KMT2A 1843/4885

“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.