SCHEMBL2371837

SCHEMBL2371837

Nc1c(F)cnc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ KHK P50053 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL24195813 0.83 CA1 (0.31) CA1CA2CA9PIK3CDKHK
SCHEMBL31727969 0.79 HTT (0.31) HTT
SCHEMBL19792311 0.79 — —
SCHEMBL15204819 0.79 PIK3C3 (0.35) HTTALDH1A1
SCHEMBL31539701 0.76 — —
SCHEMBL31539762 0.74 POLB (0.33) CA1CA2CA9ALDH1A1
SCHEMBL31727855 0.74 KHK (0.41) HTTKHKALDH1A1
SCHEMBL6305842 0.74 HTT (0.40) HTTPIK3CDALDH1A1CYP3A4
SCHEMBL31727632 0.73 KDM4E (0.40) ALDH1A1
SCHEMBL30769656 0.72 ALDH1A1 (0.40) HTTCA1CA2ALDH1A1

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 11 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
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 — — EP 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
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
EP-2547338-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-23 — — EP disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — WO disclosed
US-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 — — US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 — — US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 — — 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 (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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA HTT 3967/4885CA1 4698/4885CA2 4534/4885
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 HTT 2582/4885CA1 4599/4885CA2 2617/4885
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR HTT 4578/4885CA1 4059/4885CA2 1912/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR HTT 4578/4885CA1 4059/4885CA2 1912/4885

“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.

Send feedback