SCHEMBL20201167

SCHEMBL20201167

COc1ccc(Br)cc1N/C(=N/N)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 5/20 0.50
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 6/20 0.49
HSD17B10 Q99714 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 3/20 0.45
NPC1 O15118 1/20 0.44
ESR1 P03372 1/20 0.44
RAB9A P51151 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL20188060 0.81 TSHR (0.74) KMT2AKDM4ESMN1; SMN2HPGDHTT
SCHEMBL20189213 0.77 RAB9A (0.43) KMT2AKDM4ESMN1; SMN2HTTTSHR
SCHEMBL20189212 0.77 RAB9A (0.43) KMT2AKDM4ESMN1; SMN2HTTTSHR
SCHEMBL20187795 0.72 KMT2A (0.47) KMT2AKDM4ESMN1; SMN2HPGDHTT
SCHEMBL3039157 0.68 MAPT (0.49) KMT2ASMN1; SMN2HPGDHTTMEN1
SCHEMBL3880123 0.68 MAPT (0.51) KMT2AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL21339328 0.68 KDM4E (0.49) KMT2AKDM4ESMN1; SMN2HPGDHTT
SCHEMBL14566230 0.67 CES2 (0.47) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL2322923 0.67 KMT2A (0.53) KMT2AKDM4ESMN1; SMN2HTTTSHR
SCHEMBL14721362 0.67 ALDH1A1 (0.52) KMT2AKDM4ESMN1; SMN2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO 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 (2 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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR KMT2A 4607/4885KDM4E 4612/4885SMN1; SMN2 4672/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR KMT2A 4607/4885KDM4E 4612/4885SMN1; SMN2 4672/4885

“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.