SCHEMBL48902

SCHEMBL48902

CC(=O)Nc1nc(C)c(-c2cccc(S(=O)(=O)NCCCN3CCOCC3)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
CLK1 P49759 1/20 0.53
RAB9A P51151 1/20 0.53
PIK3CG P48736 5/20 0.53
POLB P06746 4/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
PIK3CD O00329 4/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3C2A O00443 1/20 0.49
PIK3C2B O00750 1/20 0.49
PI4KA P42356 1/20 0.49
PRKDC P78527 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL50025 0.85 PIK3CD (0.71) PIK3CGPIK3CDPIK3C3PIK3CAPIK3CB
SCHEMBL925738 0.83 PIK3CG (0.56) ALDH1A1NPC1TSHRCLK1RAB9A
SCHEMBL16490590 0.82 PIK3CG (0.59) ALDH1A1NPC1TSHRCLK1RAB9A
SCHEMBL48631 0.82 PIK3CD (0.70) PIK3CGPIK3CDPIK3C3PIK3CAPIK3CB
SCHEMBL48586 0.81 PIK3CD (0.58) PIK3CGPIK3CDPIK3C3PIK3CAPIK3CB
SCHEMBL48613 0.81 PIK3CD (0.57) PIK3CGPIK3CDPIK3C3PIK3CAPIK3CB
SCHEMBL14851612 0.81 PIK3CG (0.72) ALDH1A1NPC1TSHRCLK1RAB9A
SCHEMBL14851611 0.81 PIK3CG (0.72) ALDH1A1NPC1TSHRCLK1RAB9A
SCHEMBL3715291 0.80 PIK3CA (0.57) TDP1PIK3CGPIK3CA
SCHEMBL14851718 0.79 PIK3CD (0.73) PIK3CGPIK3CDPIK3C3PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP claimed
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
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 TDP1 1723/4885ALDH1A1 3271/4885NPC1 2181/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B TDP1 1723/4885ALDH1A1 3271/4885NPC1 2181/4885

“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.