SCHEMBL15426382

SCHEMBL15426382

CCSc1cc(F)ccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ GRIN1 Q05586 5/20 0.34
▸ GRIN2B Q13224 5/20 0.34
▸ AKT1 P31749 2/20 0.33
▸ AKT2 P31751 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 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
SCHEMBL15426388 0.87 TNKS (0.37) AKT1AKT2BRD4HTTMAPT
SCHEMBL10281056 0.87 POLB (0.48) CYP11B1CYP11B2GRIN1GRIN2BPOLB
SCHEMBL15426452 0.86 AKT1 (0.33) AKT1AKT2POLBBRD4MAPT
SCHEMBL15426411 0.85 POLB (0.41) GRIN1GRIN2BAKT1AKT2POLB
SCHEMBL15426459 0.85 AKT1 (0.31) AKT1AKT2POLBBRD4
SCHEMBL15412355 0.84 AKT1 (0.39) AKT1AKT2POLBBRD4LMNA
SCHEMBL16746511 0.83 POLB (0.36) POLBCYP1A2PDE10ADDR1
SCHEMBL10248971 0.82 PDE10A (0.36) AKT1AKT2POLBBRD4LMNA
SCHEMBL15426502 0.81 AKT1 (0.33) GRIN1GRIN2BAKT1AKT2POLB
SCHEMBL15412829 0.80 ALOX5AP (0.41) CYP11B1CYP11B2GRIN1GRIN2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 — — US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 — — US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 — — US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 — — US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 — — 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 (3 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 CYP11B1 818/4885CYP11B2 919/4885GRIN1 703/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR CYP11B1 3380/4885CYP11B2 3708/4885GRIN1 2794/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 CYP11B1 724/4885CYP11B2 809/4885GRIN1 721/4885

“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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