SCHEMBL21725722

SCHEMBL21725722

Cc1cccc(C)c1-n1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 10/20 0.67
F12 P00748 3/20 0.56
NR1H2 P55055 1/20 0.45
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL20577551 0.92 C5AR1 (0.59) C5AR1F12
SCHEMBL20576003 0.90 C5AR1 (0.60) C5AR1F12NR1H2MAPT
SCHEMBL30705775 0.88 C5AR1 (0.61) C5AR1F12NR1H2PARP1TNKS2
SCHEMBL20577526 0.87 C5AR1 (0.72) C5AR1
SCHEMBL26077543 0.87 C5AR1 (0.64) C5AR1F12NR1H2PARP1TNKS2
SCHEMBL20577339 0.87 C5AR1 (0.64) C5AR1F12NR1H2PARP1TNKS2
SCHEMBL21139178 0.83 C5AR1 (0.79) C5AR1
SCHEMBL21183650 0.82 F12 (0.52) C5AR1F12NR1H2PARP1TNKS2
SCHEMBL21074087 0.82 C5AR1 (0.62) C5AR1
SCHEMBL31345719 0.82 C5AR1 (0.62) C5AR1

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-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
CN-110997674-B 6-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2022-12-20 CN 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
CN-110997674-A 6-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2020-04-10 CN disclosed
US-10562896-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-02-18 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885NR1H2 2248/4885
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885NR1H2 2248/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885NR1H2 2248/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885NR1H2 2248/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 C5AR1 1/4885F12 27/4885NR1H2 2248/4885

“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.