SCHEMBL4245935

SCHEMBL4245935

Cn1c(NCCN2CCOCC2)nc2ccc(C=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.48
HSD17B10 Q99714 3/20 0.44
CASP1 P29466 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP7 P55210 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ACP1 P24666 2/20 0.43
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13931443 0.81 CYP2A6 (0.41) HSD17B10L3MBTL1KDM4EGAAHPGD
SCHEMBL4246619 0.81 CYP1A2 (0.51) TRPC5HSD17B10CASP1CASP7TSHR
SCHEMBL4246003 0.80 POLB (0.50) TSHRKDM4EGAAHPGDALDH1A1
SCHEMBL14002760 0.78 NME2 (0.44) TRPC5HSD17B10CASP1L3MBTL1CASP7
SCHEMBL5774154 0.77 TRPC5 (0.41) TRPC5HSD17B10CASP1L3MBTL1CASP7
SCHEMBL4248199 0.76 LCK (0.43) TRPC5ALDH1A1SMN1; SMN2
SCHEMBL4248201 0.76 LCK (0.43) TRPC5ALDH1A1SMN1; SMN2
SCHEMBL4237618 0.75 CSF1R (0.42) TSHRALDH1A1
SCHEMBL4237615 0.75 CSF1R (0.42) TSHRALDH1A1
SCHEMBL4238196 0.75 SMN1; SMN2 (0.40) TRPC5HSD17B10TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 TRPC5 4391/4885HSD17B10 920/4885CASP1 3875/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA TRPC5 1166/4885HSD17B10 3245/4885CASP1 605/4885

“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.