SCHEMBL1558035

SCHEMBL1558035

O=S(=O)(c1ccccc1)N(c1cc(Br)cnc1Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PIK3CD O00329 3/20 0.46
ALPL P05186 1/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
BACE1 P56817 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
EGFR P00533 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12274035 0.86 PIK3CD (0.62) PIK3CDKMT2AMEN1
SCHEMBL770120 0.86 PSEN1 (0.39) PIK3CDALPLPIK3CAKMT2AALDH1A1
SCHEMBL29969209 0.85 PIK3CD (0.44) CYP3A4CYP2C9CYP2C19PIK3CDALPL
SCHEMBL117014 0.76 ALDH1A1 (0.37) PIK3CDALPLPIK3CGPIK3CAPIK3CB
SCHEMBL12276604 0.75 PIK3CD (0.41) PIK3CDALPLPIK3CGPIK3CAPIK3CB
SCHEMBL1650420 0.74 ALDH1A1 (0.43) PIK3CDALPLKMT2AMEN1ALDH1A1
SCHEMBL7966932 0.73 PIK3CD (0.42) CYP3A4CYP2C9CYP2C19PIK3CDALPL
SCHEMBL926027 0.72 PSEN1 (0.52) PIK3CDPIK3CAKMT2AL3MBTL1NPSR1
SCHEMBL115597 0.72 PTGS1 (0.36) ALPLALDH1A1NPSR1
SCHEMBL1960956 0.71 KMT2A (0.45) PIK3CDALPLPIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CMG PHARMACEUTICAL CO., LTD. 2015-06-11 US disclosed
US-20140113915-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF THE ASAN FOUNDATION (KR) 2014-04-24 US disclosed
US-8664230-B2 Pyridopyrimidine derivatives and use thereof THE ASAN FOUNDATION (KR) 2014-03-04 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
EP-2303886-A2 PI3K/M TOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 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 (4 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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA CYP3A4 1083/4885CYP2C9 549/4885CYP2C19 295/4885
US-20140113915-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA CYP3A4 153/4885CYP2C9 267/4885CYP2C19 193/4885
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA CYP3A4 153/4885CYP2C9 267/4885CYP2C19 193/4885
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA CYP3A4 153/4885CYP2C9 267/4885CYP2C19 193/4885

“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.