SCHEMBL18504965

SCHEMBL18504965

COc1cccc(OC)c1-n1c(Br)nnc1-c1ccc(C)nc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 18/20 0.52
PDE10A Q9Y233 1/20 0.40
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL18254542 0.86 APLNR (0.54) APLNRPDE10AAVPR2AVPR1A
SCHEMBL18246050 0.84 APLNR (0.73) APLNR
SCHEMBL18247041 0.84 APLNR (0.73) APLNRPDE10AAVPR2AVPR1A
SCHEMBL18246800 0.78 APLNR (0.59) APLNR
SCHEMBL18254249 0.76 APLNR (0.59) APLNR
SCHEMBL18254393 0.73 APLNR (0.53) APLNR
SCHEMBL20189104 0.73 APLNR (0.52) APLNR
SCHEMBL18247150 0.72 APLNR (0.62) APLNR
SCHEMBL20187765 0.72 APLNR (0.62) APLNR
SCHEMBL20189686 0.72 APLNR (0.50) APLNR

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
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 US disclosed
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 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 (1 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-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 APLNR 4/4885PDE10A 1447/4885AVPR2 158/4885

“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.