SCHEMBL16612971

SCHEMBL16612971

CCSc1ccncc1-c1nc2cc(C(F)(F)F)cnc2s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.33
ILK Q13418 1/20 0.33
S1PR1 P21453 1/20 0.33
POLB P06746 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LIMK1 P53667 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL11895332 0.91 POLB (0.33) ILKS1PR1POLBPDE10ALIMK1
SCHEMBL10280795 0.87 ALOX5AP (0.39) ILKS1PR1POLBALOX5APFEN1
SCHEMBL10280995 0.84 ILK (0.38) ILKS1PR1POLBDYRK1AALOX5AP
SCHEMBL16803713 0.84 DYRK1A (0.33) DYRK1AALOX5APFEN1
SCHEMBL11895090 0.81 NPSR1 (0.37) ILKS1PR1PDE10ALIMK1GPBAR1
SCHEMBL11894951 0.81 ILK (0.34) SLC22A12ILKS1PR1PDE10AGPBAR1
SCHEMBL29431663 0.81 POLB (0.34) ILKS1PR1POLB
SCHEMBL14684606 0.81 POLB (0.34) ILKS1PR1POLB
SCHEMBL14684625 0.80 NPC1 (0.33) ILKS1PR1POLBPDE10A
SCHEMBL16612168 0.80 DDR1 (0.41) SLC22A12S1PR1DYRK1A

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 8 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

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 SLC22A12 4598/4885ILK 4811/4885S1PR1 2756/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 SLC22A12 4321/4885ILK 4672/4885S1PR1 3497/4885

“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.