SCHEMBL48503

SCHEMBL48503

CC(=O)Nc1nc(C)c(-c2cccc([N+](=O)[O-])c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
MCL1 Q07820 1/20 0.65
PIK3CD O00329 9/20 0.55
PIK3CA P42336 9/20 0.55
PIK3CB P42338 9/20 0.55
PIK3CG P48736 9/20 0.55
DYRK1A Q13627 1/20 0.55
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48

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
SCHEMBL3598571 0.86 MEN1 (0.52) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL7142259 0.86 MEN1 (0.52) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL48750 0.85 MAPT (0.50) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL48371 0.85 PIK3CD (0.67) MEN1KMT2ASMN1; SMN2POLBLMNA
Iodide SCHEMBL7146780 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL12991137 0.82 PIK3CG (0.63) MEN1KMT2ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL7144160 0.82 MAPT (0.53) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL12991810 0.80 PIK3CG (0.62) PIK3CDPIK3CAPIK3CBPIK3CGDYRK1A
SCHEMBL12992183 0.80 PIK3CG (0.60) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4512505 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2POLBLMNA

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-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
CN-100548996-C 5-phenylthiazole derivatives and their use for the preparation of medicaments NOVARTIS AG (CH) 2009-10-14 CN disclosed
CN-1639139-A 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2005-07-13 CN disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B MEN1 2238/4885KMT2A 2183/4885SMN1; SMN2 2920/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B MEN1 2238/4885KMT2A 2183/4885SMN1; SMN2 2920/4885

“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.