SCHEMBL1856372

SCHEMBL1856372

CSCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2D6 P10635 1/20 0.65
CHRM2 P08172 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL4796690 0.95 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL21616881 0.93 TDP1 (0.58) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL20854901 0.93 TDP1 (0.58) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL1307183 0.89 NPC1 (0.62) CYP1A2CYP2C19CYP2D6MEN1KMT2A
Hydrazine SCHEMBL28285473 0.89 TDP1 (0.54) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL6790333 0.82 TDP1 (0.71) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL4351612 0.82 TDP1 (0.66) CYP1A2CYP2C19CYP2D6CHRM2MEN1
SCHEMBL8259902 0.81 HCRTR1 (0.54) CYP1A2CYP2C19KMT2ATSHR
SCHEMBL2604742 0.80 TDP1 (0.75) CYP1A2CYP2C19CHRM2MEN1KMT2A
SCHEMBL8862878 0.80 TDP1 (0.75) CYP1A2CYP2C19CHRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B CYP1A2 4386/4885CYP2C19 4352/4885CYP2D6 4576/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA CYP1A2 1817/4885CYP2C19 1813/4885CYP2D6 1899/4885

“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.