Sugi Predict

Sugi Predict / Compounds / SCHEMBL2743353

SCHEMBL2743353

SCHEMBL2743353

COc1ccc(-n2cnc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CUL4A Q13619 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL21092347 0.89 MEN1 (0.42) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22173634 0.83 CHRNA7 (0.46) MAPTADORA3CLK4PTGS1PTGS2
SCHEMBL17380337 0.83 RXRA (0.43) MAPTACHEPTGS2KDM4E
SCHEMBL16089351 0.81 SMN1; SMN2 (0.48) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2744384 0.81 MEN1 (0.47) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6758439 0.81 SMN1; SMN2 (0.48) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16074561 0.81 AHR (0.44) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2743397 0.81 RXRA (0.37) CNR1MAPTHPGDKMT2ATP53
SCHEMBL28238356 0.81 ALDH1A1 (0.49) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16073034 0.80 TDP1 (0.54) MAPTNPC1RAB9ASMN1; SMN2NPSR1

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 21 patents — showing the first 20. 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
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-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
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 — — EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 — — WO 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 (7 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 CNR1 322/4885MAPT 2297/4885NPC1 1008/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CNR1 2966/4885MAPT 3378/4885NPC1 4139/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CNR1 2966/4885MAPT 3378/4885NPC1 4139/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC CNR1 584/4885MAPT 3486/4885NPC1 2246/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 CNR1 2602/4885MAPT 4057/4885NPC1 3584/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE CNR1 869/4885MAPT 2807/4885NPC1 1488/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CNR1 2966/4885MAPT 3378/4885NPC1 4139/4885

“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.