SCHEMBL2324376

SCHEMBL2324376

Cc1nc(N)sc1-c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HRH2 P25021 5/20 0.44
HRH1 P35367 5/20 0.44
HRH4 Q9H3N8 5/20 0.44
HRH3 Q9Y5N1 5/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 2/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL2327834 0.81 PIK3CD (0.62) NPC1RAB9AHRH2HRH1HRH4
SCHEMBL2328454 0.79 PIK3CG (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL12943394 0.73 MAPT (0.70) NPC1RAB9APIK3CGKDM4ESMN1; SMN2
SCHEMBL28776144 0.71 KDM4E (0.43) HRH2HRH1HRH4HRH3PIK3CD
SCHEMBL21474564 0.71 PIK3CA (0.48) NPC1RAB9APIK3CAPIK3CGSMN1; SMN2
SCHEMBL28357165 0.71 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2LMNAMAPTXBP1
SCHEMBL28127303 0.71 MAPT (0.53) NPC1RAB9APIK3CGKDM4ESMN1; SMN2
SCHEMBL330449 0.71 MAPT (0.53) NPC1RAB9AHRH2HRH1HRH4
SCHEMBL1747883 0.70 ALDH1A1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL48725 0.69 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 EP disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
CN-101374823-A Organic compounds NOVARTIS AG (CH) 2009-02-25 CN disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 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-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD NPC1 3385/4885RAB9A 1515/4885HRH2 383/4885

“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.