SCHEMBL21887560

SCHEMBL21887560

CC(C)n1cc(-c2cc(N)ncc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
PIK3CD O00329 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIP5K1C O60331 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
FEN1 P39748 3/20 0.40
ALOX5AP P20292 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
GCK P35557 1/20 0.39
PDK2 Q15119 2/20 0.38
CREBBP Q92793 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 2/20 0.38
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL23209269 0.83 JAK2 (0.48) METPIK3CDPIK3CAPIK3CGFEN1
SCHEMBL29885527 0.83 JAK2 (0.48) METPIK3CDPIK3CAPIK3CGFEN1
SCHEMBL29404694 0.82 MET (0.42) METPIK3CDPIK3CAPIK3CGPIP5K1C
SCHEMBL21887561 0.79 CTSD (0.44) METPIK3CDPIK3CAPIK3CGPIP5K1C
SCHEMBL21818981 0.77 GCK (0.39) FEN1ALOX5APGCKPDK2CREBBP
SCHEMBL30627867 0.77 GCK (0.39) FEN1ALOX5APGCKPDK2CREBBP
SCHEMBL29404784 0.75 MET (0.45) METPIK3CDPIK3CAPIK3CGPIP5K1C
SCHEMBL18770695 0.73 KDM5B (0.44) METPIK3CDPIK3CAPIK3CGPIP5K1C
SCHEMBL21876279 0.73 PIK3CD (0.52) METPIK3CDPIK3CAPIK3CGPIP5K1C
SCHEMBL21887462 0.73 ASIC3 (0.45) METPIK3CDPIK3CAPIK3CGPIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
CN-113056265-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 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 (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-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MET 389/4885PIK3CD 2475/4885PIK3CA 1354/4885

“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.