SCHEMBL17839739

SCHEMBL17839739

Fc1c(Br)ccc2nc(Br)sc12

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PAK4 O96013 1/20 0.30
CHEK2 O96017 1/20 0.30
LCK P06239 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR3 P22607 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
MARK3 P27448 1/20 0.30
MAPK1 P28482 1/20 0.30
AKT1 P31749 1/20 0.30
FLT4 P35916 1/20 0.30

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
SCHEMBL30521270 0.82 RAB9A (0.44) CDK1CDK2
SCHEMBL3136682 0.82 AXL (0.44) MAPK1
SCHEMBL12596659 0.82 RAB9A (0.44) CDK1CDK2
SCHEMBL23921280 0.80 LDHA (0.37) MAPK1DYRK1A
SCHEMBL10187249 0.79 RAB9A (0.32)
SCHEMBL21815026 0.73 NPC1 (0.39) CDK2LIMK1
SCHEMBL21815069 0.73 TLR8 (0.42) MAPK1
SCHEMBL3141935 0.73 DYRK1A (0.56) DYRK1A
SCHEMBL1638399 0.72 CCNE1 (0.45) CDK2CDK5
SCHEMBL31389941 0.71 PSMB8 (0.37) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 PLK4 2611/4885CHEK1 4713/4885AURKA 3905/4885

“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.