SCHEMBL48387

SCHEMBL48387

CC(=O)Nc1nc(C)c(Br)s1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PIK3CG P48736 9/20 0.50
PIK3CD O00329 5/20 0.50
PIK3CA P42336 5/20 0.50
PIK3CB P42338 5/20 0.50
LCK P06239 1/20 0.48
DYRK1A Q13627 4/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
PI4KB Q9UBF8 1/20 0.46

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
SCHEMBL16757197 0.86 RAB9A (0.44) ALDH1A1HPGDNPC1CYP1A2CYP2C9
SCHEMBL31461127 0.81 LCK (0.50) ALDH1A1HPGDLCKNPC1CYP1A2
SCHEMBL155142 0.80 RAB9A (0.57) ALDH1A1HPGDPIK3CGPIK3CDPIK3CA
SCHEMBL27758932 0.79 ALDH1A1 (0.60) ALDH1A1HPGDPI4KB
SCHEMBL3580813 0.79 NPC1 (0.60) ALDH1A1LCKNPC1RAB9A
SCHEMBL924824 0.77 ALDH1A1 (0.53) ALDH1A1HPGDPIK3CGPIK3CDPIK3CA
SCHEMBL15087998 0.77 PIK3CG (0.56) ALDH1A1HPGDPIK3CGPIK3CDPIK3CA
SCHEMBL2835357 0.77 RXFP1 (0.70) ALDH1A1HPGDLCKNPC1CYP1A2
SCHEMBL29956363 0.77 DYRK1A (0.44) ALDH1A1HPGDDYRK1ANPC1CYP1A2
SCHEMBL26479399 0.77 DYRK1A (0.44) ALDH1A1HPGDPIK3CGPIK3CDPIK3CA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426652-B1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2021-12-01 EP disclosed
CN-108779110-B Novel inhibitors of phosphatidylinositol 3-kinase gamma 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2021-02-18 US disclosed
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma ASTRAZENECA AB (SE) 2020-12-08 US disclosed
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2020-09-24 US disclosed
EP-3426652-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA Astrazeneca AB (SE) 2019-01-16 EP disclosed
WO-2017153527-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2017-09-14 WO disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 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-101528738-A 5-(2-furyl)-1,3-thiazole derivatives useful as inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMA (US) 2009-09-09 CN disclosed
EP-2061787-A2 5-(2-FURYL)-1,3-THIAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2009-05-27 EP disclosed
WO-2008027584-A2 5- (2-FURYL)-1, 3-THIAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-06 WO disclosed
WO-2008027584-A2 5- (2-FURYL)-1, 3-THIAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-06 WO 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 (5 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-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PIK3CD, PIK3CG, PIK3CA ALDH1A1 3912/4885HPGD 1067/4885PIK3CG 2/4885
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 ALDH1A1 1426/4885HPGD 1515/4885PIK3CG 3105/4885
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma PIK3CD, PIK3CG, PIK3CA ALDH1A1 3912/4885HPGD 1067/4885PIK3CG 2/4885
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PI4KA, PIK3CD, PI4KB ALDH1A1 4003/4885HPGD 2020/4885PIK3CG 4/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885HPGD 3220/4885PIK3CG 8/4885

“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.