SCHEMBL16612168

SCHEMBL16612168

CCS(=O)(=O)c1ccncc1-c1nc2cc(C(F)(F)F)cnc2s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.41
DYRK1A Q13627 3/20 0.36
PTGS2 P35354 5/20 0.34
PTGS1 P23219 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 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
SCHEMBL11895033 0.92 DDR1 (0.41) DDR1DYRK1APTGS2PTGS1ALDH1A1
SCHEMBL10281054 0.87 DDR1 (0.39) DDR1ALDH1A1LMNAHPGDHTT
SCHEMBL10280993 0.85 ILK (0.38) DDR1S1PR1
SCHEMBL16803714 0.84 DYRK1A (0.39) DYRK1AALDH1A1LMNAHPGDHTT
SCHEMBL16779870 0.82 S1PR1 (0.33) DDR1PTGS2PTGS1ALDH1A1LMNA
SCHEMBL14684598 0.81 GAA (0.35) DDR1ALDH1A1LMNAS1PR1
SCHEMBL29431591 0.81 GAA (0.35) DDR1ALDH1A1LMNAS1PR1
SCHEMBL15870389 0.81 NPC1 (0.39) DDR1PTGS2PTGS1ALDH1A1LMNA
SCHEMBL16612971 0.80 SLC22A12 (0.33) DYRK1ASLC22A12S1PR1
SCHEMBL11895090 0.78 NPSR1 (0.37) HPGDS1PR1

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 DDR1 3233/4885DYRK1A 4785/4885PTGS2 1853/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 DDR1 3287/4885DYRK1A 4817/4885PTGS2 1743/4885

“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.