Sugi Predict

Sugi Predict / Compounds / SCHEMBL2743397

SCHEMBL2743397

SCHEMBL2743397

Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ LTA4H P09960 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ PTGS2 P35354 2/20 0.32

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
SCHEMBL17380337 0.90 RXRA (0.43) RXRAGRIN1GRIN2BNPBWR1MCHR1
SCHEMBL1259350 0.87 PTGS2 (0.37) RXRAGRIN1GRIN2BKDM4EGAA
SCHEMBL28429104 0.86 CHRNA7 (0.37) MAPK10PTGS2PTGS1
SCHEMBL1230714 0.85 KCNJ1 (0.40) RXRAGRIN1GRIN2BKDM4EMAPT
SCHEMBL17082474 0.85 PSEN1 (0.31) RXRAGRIN1GRIN2B
SCHEMBL17454654 0.84 ADRB2 (0.36) RXRAGRIN1GRIN2BKCNH2
SCHEMBL17421928 0.84 MAPT (0.32) RXRAGRIN1GRIN2BMAPTPTGS2
SCHEMBL17454712 0.84 S1PR1 (0.34) RXRAGRIN1GRIN2BPTGS2NOTUM
SCHEMBL22173542 0.84 AOC3 (0.30) RXRAGRIN1GRIN2B
SCHEMBL1260336 0.84 ALDH1A1 (0.39) PTGS2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 — — US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 — — EP disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 — — EP disclosed
WO-2016018872-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 — — WO disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 — — US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 — — EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 — — US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 — — US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 — — US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 — — US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 — — US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 — — US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 — — US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 — — US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 — — US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 — — US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 — — 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 (8 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP RXRA 1847/4885GRIN1 2629/4885GRIN2B 2792/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RXRA 3519/4885GRIN1 2802/4885GRIN2B 2503/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RXRA 3519/4885GRIN1 2802/4885GRIN2B 2503/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC RXRA 3077/4885GRIN1 3549/4885GRIN2B 3270/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 RXRA 3308/4885GRIN1 2110/4885GRIN2B 1298/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE RXRA 4256/4885GRIN1 4367/4885GRIN2B 3409/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RXRA 3519/4885GRIN1 2802/4885GRIN2B 2503/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 RXRA 3308/4885GRIN1 2110/4885GRIN2B 1298/4885

“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.