SCHEMBL21139679

SCHEMBL21139679

Cc1nc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CXCR4 P61073 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
MAPT P10636 2/20 0.35
PTGS2 P35354 2/20 0.33
PRMT6 Q96LA8 1/20 0.33
MEN1 O00255 1/20 0.33
KIF11 P52732 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL10183692 0.87 KDM4E (0.41) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL1584056 0.79 NOS3 (0.44) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL13865687 0.79 RAB9A (0.39) HSP90AA1HSP90AB1GAAALDH1A1KMT2A
SCHEMBL21612748 0.77 TRPV4 (0.45) KDM4ECXCR4HSP90AA1HSP90AB1GAA
Ammonia Solution, Strong SCHEMBL27852366 0.77 NOS3 (0.43) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL31018185 0.77 TRPV4 (0.45) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL15832406 0.77 LMNA (0.46) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL22851293 0.76 LMNA (0.42) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL1584055 0.76 KDM4E (0.41) KDM4ECXCR4HSP90AA1HSP90AB1GAA
SCHEMBL180808 0.76 HSP90AA1 (0.44) KDM4ECXCR4HSP90AA1HSP90AB1GAA

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-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 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 (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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 KDM4E 3777/4885CXCR4 735/4885HSP90AA1 4396/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 KDM4E 3777/4885CXCR4 735/4885HSP90AA1 4396/4885

“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.