SCHEMBL993855

SCHEMBL993855

CC(C)(C)[Si](C)(C)n1ccc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.34
FABP4 P15090 1/20 0.34
TFPI2 P48307 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL4488558 0.87 HTR2C (0.42) KCNH2HTR2CHTR2ACYP11B2CYP11B1
SCHEMBL444893 0.80 SLC6A2 (0.42) KCNH2HTR2CHTR2AMAPTALDH1A1
SCHEMBL4478439 0.76 CDC7 (0.43) CYP11B2KDM4EALDH1A1
SCHEMBL850727 0.75 HTR2C (0.50) KCNH2HTR2CHTR2ACYP11B2MAOB
SCHEMBL25696558 0.72 HTR2C (0.46) KCNH2HTR2CHTR2ACYP11B2CYP11B1
SCHEMBL4490724 0.71 TFPI2 (0.38) MAPTKDM4EALDH1A1TFPI2SLC6A2
SCHEMBL4485147 0.70 CDC7 (0.39) HTR2CHTR2ACYP11B2MAPTKDM4E
SCHEMBL2114014 0.69 PRKCI (0.59) KCNH2HTR2CHTR2AMAOBKDM4E
SCHEMBL18867951 0.69 PRKCI (0.59) KCNH2HTR2CHTR2AMAOBKDM4E
Methylamine SCHEMBL9287436 0.68 HTR2C (0.50) KCNH2HTR2CHTR2AMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104169277-B Aurora kinase and flt3 kinase modulators 赛勒姆公司 2016-10-12 CN disclosed
EP-2812328-B1 AURORA AND FLT3 KINASES MODULATORS SAREUM LTD (GB) 2015-11-18 EP disclosed
US-9133180-B2 Aurora and FLT3 kinases modulators SAREUM LIMITED (GB) 2015-09-15 US disclosed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
EP-2158207-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. Hoffmann-Roche AG (CH) 2010-03-03 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (1 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA KCNH2 1195/4885HTR2C 1482/4885HTR2A 2176/4885

“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.