SCHEMBL925797

SCHEMBL925797

CNc1nc(C)c(-c2cccnc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
CYP2A6 P11509 6/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2E1 P05181 3/20 0.51
CYP2B6 P20813 3/20 0.51
PIK3CG P48736 2/20 0.49
PIK3CA P42336 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 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
SCHEMBL924321 0.82 MEN1 (0.76) PIK3CGPIK3CAALDH1A1MAPTLMNA
SCHEMBL12278149 0.82 CYP3A4 (0.60) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL10697457 0.81 PIK3CG (0.71) PIK3CGPIK3CACYP1A2ATAD2
SCHEMBL10667929 0.80 PIK3CG (0.52) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL924920 0.80 ALDH1A1 (0.51) CYP3A4CYP2C19CYP2C9CYP2D6PIK3CG
SCHEMBL6546203 0.79 ALDH1A1 (0.52) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL10671125 0.78 CYP19A1 (0.53) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL926042 0.78 CYP3A4 (0.50) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL9663953 0.77 PTGS2 (0.55) CYP3A4CYP2A6CYP2C19CYP2C9CYP2D6
SCHEMBL6546517 0.76 MAPT (0.72) CYP3A4CYP2C19ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US claimed
CN-101098869-A 5-heteroaryl thiazoles and their use as p13k inhibitors ASTRAZENECA AB (SE) 2008-01-02 CN claimed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP claimed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO claimed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US claimed
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
CN-101484452-A Thiazole derivatives and their use as anti-tumour agents ASTRAZENECA AB (SE) 2009-07-15 CN disclosed
US-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2016075-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2009-01-21 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US disclosed
CN-101098869-A 5-heteroaryl thiazoles and their use as p13k inhibitors ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
WO-2007129044-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO disclosed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 EP 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-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS MTOR, RPTOR, JAK2 CYP3A4 1560/4885CYP2A6 2458/4885CYP2C19 1477/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA CYP3A4 703/4885CYP2A6 1126/4885CYP2C19 386/4885

“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.