SCHEMBL20577618

SCHEMBL20577618

Cc1ccc(C)c(-n2nc3c(c2Br)CN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.48
F12 P00748 2/20 0.43
MKNK1 Q9BUB5 2/20 0.42
ESR2 Q92731 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
NR1H2 P55055 1/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL28379911 0.85 TSHR (0.38) LMNAMAPTNPSR1
SCHEMBL20577339 0.82 C5AR1 (0.64) C5AR1F12ESR2MAPTNR1H2
SCHEMBL20577597 0.81 C5AR1 (0.47) C5AR1F12ESR2MAPTNR1H2
SCHEMBL21446959 0.78 C5AR1 (0.60) C5AR1F12ESR2MAPTNR1H2
SCHEMBL16379831 0.76 C5AR1 (0.43) C5AR1F12MKNK1ESR2MAPT
SCHEMBL31163741 0.76 C5AR1 (0.43) C5AR1F12MKNK1ESR2MAPT
SCHEMBL17327926 0.75 C5AR1 (0.43) C5AR1F12MKNK1ESR2MAPT
SCHEMBL31345653 0.74 C5AR1 (0.70) C5AR1
SCHEMBL20577486 0.74 C5AR1 (0.70) C5AR1
SCHEMBL21183650 0.73 F12 (0.52) C5AR1F12MKNK1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
EP-3630775-B1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX INC (US) 2022-12-14 EP disclosed
US-11384079-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2022-07-12 US disclosed
US-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2020-11-05 US disclosed
EP-3630775-A1 6-5 FUSED RINGS AS C5a INHIBITORS ChemoCentryx, Inc. (US) 2020-04-08 EP disclosed
US-10562896-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-02-18 US disclosed
US-20180370967-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2018-12-27 US disclosed
WO-2018222598-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. (US) 2018-12-06 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 (6 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885
US-20180370967-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885MKNK1 3893/4885

“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.