SCHEMBL17342174

SCHEMBL17342174

CCS(=O)(=O)c1cccnc1-c1nc2cc(C)cc(C#N)c2n1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ELANE P08246 4/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ CFTR P13569 3/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ BCL6 P41182 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ BRD1 O95696 1/20 0.30
▸ BRPF1 P55201 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
SCHEMBL15929938 0.87 PTGS2 (0.35) —
SCHEMBL29431654 0.87 PTGS2 (0.35) —
SCHEMBL17342175 0.84 COMT (0.36) COMTHSD11B1DHODHSLC40A1NPC1
SCHEMBL15868324 0.84 MEN1 (0.36) COMTDHODHSLC40A1NPC1RAB9A
SCHEMBL15275086 0.78 NPC1 (0.45) COMTNPC1RAB9ACA12CA1
SCHEMBL15275099 0.77 PDE10A (0.41) COMTNPC1RAB9ACA12CA9
SCHEMBL17358690 0.76 COMT (0.34) COMTNPC1RAB9A
SCHEMBL15868315 0.75 COMT (0.36) COMTNPC1RAB9ACA12CA9
SCHEMBL20104450 0.75 COMT (0.34) COMTNPC1RAB9A
SCHEMBL21578031 0.74 DDR1 (0.37) COMTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 — — US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 — — US disclosed
US-9854805-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 — — US disclosed
US-9723835-B2 Pest control composition and method for controlling pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9549559-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-24 — — US disclosed
US-20150366208-A1 METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-24 — — US disclosed
US-20150366207-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-24 — — US disclosed
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 — — US disclosed
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 — — US disclosed
US-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 — — US 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 (5 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-20150366207-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS NIT2, CRY1, CNPY2 COMT 443/4885HSD11B1 1239/4885DHODH 1577/4885
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS TH, TCOF1, BLVRB COMT 83/4885HSD11B1 4447/4885DHODH 3235/4885
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS PNPO, NAMPT, NNT COMT 2502/4885HSD11B1 1183/4885DHODH 112/4885
US-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST ABAT, PNPO, GABBR1 COMT 2065/4885HSD11B1 2047/4885DHODH 2829/4885
US-20150366208-A1 METHOD FOR CONTROLLING PESTS BROX, RNGTT, NOS1 COMT 783/4885HSD11B1 1900/4885DHODH 2004/4885

“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.

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