SCHEMBL21887567

SCHEMBL21887567

CC(C)n1cc(-c2cccc(N)c2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.49
CREBBP Q92793 3/20 0.43
BRD4 O60885 2/20 0.43
PIK3CD O00329 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
GRM5 P41594 2/20 0.39
GRM1 Q13255 2/20 0.39
JAK2 O60674 2/20 0.38
TYK2 P29597 1/20 0.38
MET P08581 1/20 0.37
ACHE P22303 1/20 0.37
MAPK1 P28482 2/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35

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
SCHEMBL17785841 0.80 SMARCA2 (0.51) PDK2CREBBPBRD4ALOX5APFEN1
SCHEMBL29405700 0.78 MET (0.42) PDK2CREBBPPIK3CDPIP5K1CPIK3CA
SCHEMBL21887561 0.73 CTSD (0.44) PDK2CREBBPBRD4PIK3CDPIP5K1C
SCHEMBL29404787 0.72 PIK3CD (0.54) CREBBPBRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL29371526 0.71 PIK3CD (0.53) PDK2CREBBPBRD4PIK3CDPIP5K1C
SCHEMBL21876209 0.71 PIK3CD (0.53) PDK2CREBBPBRD4PIK3CDPIP5K1C
SCHEMBL21887560 0.71 MET (0.42) PDK2CREBBPPIK3CDPIP5K1CPIK3CA
SCHEMBL21887464 0.70 ASIC3 (0.47) PDK2CREBBPBRD4PIK3CDPIP5K1C
SCHEMBL28076653 0.70 MAPK1 (0.60) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL22165237 0.69 PIK3CD (0.55) PDK2CREBBPBRD4PIK3CDPIP5K1C

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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US 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 (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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 PDK2 3541/4885CREBBP 578/4885BRD4 2516/4885
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 PDK2 3541/4885CREBBP 578/4885BRD4 2516/4885

“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.