SCHEMBL13887136

SCHEMBL13887136

C=Cc1cccc(F)c1N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.41
ALDH1A1 P00352 1/20 0.38
ERN1 O75460 1/20 0.38
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
GRM4 Q14833 1/20 0.33
MAOB P27338 1/20 0.31

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
SCHEMBL28477211 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL30106737 0.77 ERN1 (0.57) NFE2L2ALDH1A1ERN1GRIN2DGRIN3B
SCHEMBL1695015 0.77 ERN1 (0.57) NFE2L2ALDH1A1ERN1GRIN2DGRIN3B
SCHEMBL29620247 0.76 NFE2L2 (0.44) NFE2L2ALDH1A1ERN1GRIN2DGRIN3B
SCHEMBL242300 0.76 CD44 (0.42) ALDH1A1
SCHEMBL466535 0.76 NFE2L2 (0.44) NFE2L2ALDH1A1ERN1GRIN2DGRIN3B
SCHEMBL29906330 0.75
SCHEMBL50061 0.75
SCHEMBL16933848 0.74 NFE2L2 (0.50) NFE2L2ALDH1A1ERN1
SCHEMBL113475 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778347-B Synthetic method of boron nitrogen benzocarbazole derivative 九江善水科技股份有限公司 2023-03-14 CN disclosed
US-11149040-B2 Fused triazole agonists of the APJ receptor AMGEN INC. (US) 2021-10-19 US disclosed
CN-112778347-A Synthetic method of boron nitrogen benzocarbazole derivative 九江善水科技股份有限公司 2021-05-11 CN disclosed
US-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2020-10-01 US disclosed
US-10189863-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2019-01-29 US disclosed
US-10189863-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2019-01-29 US disclosed
EP-3204388-B1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LTD (GB) 2018-12-12 EP disclosed
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
EP-3204388-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES Pulmocide Limited (GB) 2017-08-16 EP disclosed
WO-2016055792-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2016-04-14 WO disclosed
WO-2016055792-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2016-04-14 WO disclosed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 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 (4 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-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AP3M1, GPBAR1 NFE2L2 3184/4885ALDH1A1 2156/4885ERN1 3974/4885
US-10189863-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives AZI2, HRH4, ZC3HAV1 NFE2L2 2123/4885ALDH1A1 1873/4885ERN1 3304/4885
US-11149040-B2 Fused triazole agonists of the APJ receptor TBXA2R, AP3M1, GPBAR1 NFE2L2 3184/4885ALDH1A1 2156/4885ERN1 3974/4885
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 NFE2L2 2099/4885ALDH1A1 1756/4885ERN1 3394/4885

“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.