SCHEMBL16670864

SCHEMBL16670864

Cc1cnccc1-c1cnc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.53
PDE2A O00408 5/20 0.53
PDE7A Q13946 2/20 0.53
CYP1A2 P05177 2/20 0.43
METAP2 P50579 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
S1PR1 P21453 1/20 0.39
PDE11A Q9HCR9 1/20 0.38
PDE6D O43924 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE6B P35913 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
SCHEMBL20033422 0.95 PDE10A (0.53) PDE10APDE2APDE7ACYP1A2METAP2
SCHEMBL20032698 0.84 MEN1 (0.48) PDE10APDE2ACYP1A2MEN1ALDH1A1
SCHEMBL20033425 0.79 KIF11 (0.49) ALDH1A1MAPTKDM4ES1PR1KIF11
SCHEMBL20032701 0.78 MEN1 (0.48) PDE10APDE2ACYP1A2GPBAR1MEN1
SCHEMBL20033417 0.74 KDM4E (0.50) PDE10APDE2AMETAP2MEN1KMT2A
SCHEMBL29639042 0.74 KDM4E (0.50) PDE10APDE2AMETAP2MEN1KMT2A
SCHEMBL20033419 0.73 KIF11 (0.49) ALDH1A1MAPTKDM4ES1PR1KIF11
SCHEMBL1024552 0.73 PDE10A (0.49) PDE10APDE2APDE7ACYP1A2METAP2
SCHEMBL356013 0.73 PDE10A (0.58) PDE10APDE2APDE7ACYP1A2METAP2
SCHEMBL20032699 0.72 TLR9 (0.60) ALDH1A1MAPTKDM4ETOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
EP-3060557-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT Bayer CropScience Aktiengesellschaft (DE) 2016-08-31 EP disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
WO-2015059088-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AG (DE) 2015-04-30 WO disclosed
WO-2015059088-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AG (DE) 2015-04-30 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-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT CHRM1, CHRM2, ACHE PDE10A 2739/4885PDE2A 1173/4885PDE7A 2569/4885

“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.