SCHEMBL174675

SCHEMBL174675

Cn1c(-c2ccncc2)nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE10A Q9Y233 2/20 0.51
PDE2A O00408 2/20 0.51
PDE7A Q13946 1/20 0.51
PDE11A Q9HCR9 1/20 0.51
ESRRA P11474 2/20 0.46
KIT P10721 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CHEK2 O96017 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
HASPIN Q8TF76 1/20 0.42
ATM Q13315 1/20 0.42
PPARG P37231 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
ACACB O00763 1/20 0.39
CHRM5 P08912 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL4401590 0.90 MEN1 (0.54) MEN1KMT2APDE10APDE2APDE7A
SCHEMBL175367 0.80 MEN1 (0.57) MEN1KMT2APDE10APDE2APDE7A
SCHEMBL17950935 0.78 CHEK2 (0.44) MEN1KMT2AESRRACHEK2PPARG
SCHEMBL17950936 0.78 CHEK2 (0.44) ESRRAKITCYP11B1CYP11B2CHEK2
SCHEMBL10248874 0.77 MEN1 (0.66) MEN1KMT2APDE10AESRRAKIT
SCHEMBL22452567 0.77 ALDH1A1 (0.60) MEN1KMT2ACHEK2NPC1LMNA
SCHEMBL19137944 0.76 HSD11B1 (0.42) ESRRAKITCHEK2SCN5A
SCHEMBL15730236 0.76 PPARG (0.45) PDE10APDE2APDE7APDE11AESRRA
SCHEMBL17942253 0.76 CHEK2 (0.55) CHEK2LMNAADORA3SCN5ASCN9A
SCHEMBL22475764 0.76 CHEK2 (0.40) PDE10APDE2APDE7APDE11AESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 MEN1 637/4885KMT2A 1877/4885PDE10A 4112/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 MEN1 637/4885KMT2A 1877/4885PDE10A 4112/4885

“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.