SCHEMBL21139491

SCHEMBL21139491

CC(C)c1c(Cl)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRA2 P47869 6/20 0.35
GABRB2 P47870 6/20 0.35
MEN1 O00255 1/20 0.34
GABRB3 P28472 6/20 0.33
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 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
SCHEMBL20072258 0.89 CES2 (0.38) PDE2AALDH1A1
SCHEMBL8737614 0.87 PDE2A (0.50) PDE2ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL16405335 0.82 RAPGEF4 (0.35) PDE2A
SCHEMBL21139479 0.80 PDE2A (0.41) PDE2A
SCHEMBL13799252 0.80 PDE2A (0.33) PDE2AGABRB3GABRA1GABRG2P2RX7
SCHEMBL15958518 0.80 PDE2A (0.44) PDE2ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL24986389 0.79 PDE2A (0.41) PDE2AKMT2AKDM4EALDH1A1GABRA2
SCHEMBL24986405 0.78 PDE2A (0.43) PDE2ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL24986404 0.78 PDE2A (0.43) PDE2ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL4088512 0.78 CES2 (0.39) PDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 US disclosed
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US 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 (5 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 PDE2A 1045/4885SMN1; SMN2 3571/4885KMT2A 4588/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 PDE2A 1246/4885SMN1; SMN2 2456/4885KMT2A 4404/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 PDE2A 1045/4885SMN1; SMN2 3571/4885KMT2A 4588/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 PDE2A 1246/4885SMN1; SMN2 2456/4885KMT2A 4404/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 PDE2A 1045/4885SMN1; SMN2 3571/4885KMT2A 4588/4885

“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.