SCHEMBL3085308

SCHEMBL3085308

CC(=O)c1ccc(-c2sc(N=C(c3ccccc3)c3ccccc3)nc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.52
PIK3CA P42336 4/20 0.52
PIK3CB P42338 4/20 0.52
PIK3CG P48736 4/20 0.52
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PI4KB Q9UBF8 1/20 0.40
XIAP P98170 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3093242 0.76 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL24023268 0.76 MEN1 (0.33) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24023248 0.75 MAPK14 (0.37) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24023338 0.73 XIAP (0.34) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL24023331 0.72 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3086729 0.72 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2327834 0.72 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL14302479 0.72 SMN1; SMN2 (0.36) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24023335 0.71 PIK3CA (0.41) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2958703 0.70 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 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
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-2035413-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2009-03-18 EP 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-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO 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 (2 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 PIK3CD 10/4885PIK3CA 5/4885PIK3CB 11/4885
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 PIK3CD 3/4885PIK3CA 4/4885PIK3CB 11/4885

“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.