SCHEMBL20180784

SCHEMBL20180784

COc1cccc(OC)c1-n1c(N)nnc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 13/20 0.73
AVPR2 P30518 2/20 0.54
AVPR1A P37288 2/20 0.54
TSHR P16473 1/20 0.45
OXTR P30559 2/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL19420499 0.86 APLNR (0.67) APLNRTSHRKDM4E
SCHEMBL18245535 0.85 APLNR (1.00) APLNR
SCHEMBL20180776 0.84 AVPR1A (0.68) APLNRAVPR2AVPR1AOXTR
SCHEMBL22518538 0.82 APLNR (0.63) APLNRAVPR2AVPR1A
SCHEMBL20207290 0.82 APLNR (0.73) APLNR
SCHEMBL18247041 0.82 APLNR (0.73) APLNRAVPR2AVPR1A
SCHEMBL20515259 0.82 AVPR2 (0.54) APLNRAVPR2AVPR1ATSHROXTR
SCHEMBL18246225 0.81 APLNR (0.71) APLNR
SCHEMBL20167443 0.80 APLNR (0.61) APLNR
SCHEMBL18246411 0.80 APLNR (1.00) APLNRTSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885AVPR2 119/4885AVPR1A 194/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885AVPR2 119/4885AVPR1A 194/4885

“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.