SCHEMBL115623

SCHEMBL115623

Cn1c(-c2ccncc2C(F)(F)F)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
PDE10A Q9Y233 4/20 0.38
PDE2A O00408 3/20 0.38
PDE7A Q13946 1/20 0.38
CYP17A1 P05093 1/20 0.38
LATS1 O95835 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34

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
SCHEMBL357857 0.89 PDE10A (0.48) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL116863 0.88 POLB (0.43) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL4398672 0.88 POLB (0.43) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL118657 0.87 POLB (0.42) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL355691 0.87 POLB (0.44) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL354946 0.85 POLB (0.41) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL175248 0.85 POLB (0.43) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL117232 0.85 POLB (0.45) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL354615 0.85 POLB (0.46) POLBPDE10APDE2APDE7ACYP17A1
SCHEMBL116162 0.85 POLB (0.47) POLBPDE10APDE2APDE7ACYP17A1

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 17 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
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-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
WO-2012057273-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057268-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057260-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057269-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057266-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057265-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057264-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO 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
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 POLB 4724/4885PDE10A 4112/4885PDE2A 4247/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885PDE10A 4112/4885PDE2A 4247/4885

“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.