SCHEMBL16611730

SCHEMBL16611730

CCSc1ccncc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
PDE10A Q9Y233 4/20 0.34
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 2/20 0.32
PDE2A O00408 2/20 0.32
PDE7A Q13946 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
DDR1 Q08345 1/20 0.31
PDE6D O43924 1/20 0.31

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
SCHEMBL116826 0.92 POLB (0.50) POLBPDE10ACYP17A1ALDH1A1KDM4E
SCHEMBL15411967 0.87 POLB (0.49) POLBPDE10AALDH1A1KDM4EPDE2A
SCHEMBL16803704 0.85 PDE10A (0.36) POLBPDE10ACYP17A1ALDH1A1KDM4E
SCHEMBL10280988 0.85 POLB (0.49) POLBPDE10APDE2AGRIN1GRIN2B
SCHEMBL16612240 0.84 POLB (0.48) POLB
SCHEMBL10284533 0.83 POLB (0.48) POLBPDE10ACYP17A1ALDH1A1KDM4E
SCHEMBL10281056 0.83 POLB (0.48) POLBPDE10AALDH1A1PDE2AGRIN1
SCHEMBL10280699 0.83 POLB (0.48) POLBALDH1A1GAAPDE2ASMN1; SMN2
SCHEMBL17824493 0.83 POLB (0.48) POLBPDE10AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20424069 0.83 POLB (0.44) POLBPDE10ACYP17A1PDE2APDE7A

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
EP-2857397-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-04-08 EP disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 EP disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 EP 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 POLB 4183/4885PDE10A 3525/4885CYP17A1 639/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885PDE10A 3869/4885CYP17A1 943/4885

“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.