SCHEMBL21725762

SCHEMBL21725762

COc1c(F)cc(C(C)C)c2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
METAP2 P50579 2/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LCK P06239 2/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL26077705 0.86 METAP2 (0.33) BRD4METAP2
SCHEMBL24841969 0.81 METAP2 (0.36) METAP2HSP90AA1HSP90AB1
SCHEMBL26077501 0.80 METAP2 (0.35) METAP2HSP90AA1HSP90AB1
SCHEMBL24786481 0.80 BRD4 (0.35) BRD4METAP2LCKGAAKDM4E
SCHEMBL24841970 0.79 KDM4E (0.37) BRD4METAP2HSP90AA1HSP90AB1LCK
SCHEMBL20577534 0.78 AXL (0.37) BRD4METAP2LCKGAAKDM4E
SCHEMBL24613002 0.76 BRD4 (0.33) BRD4METAP2LCKGAAKDM4E
SCHEMBL21725759 0.74 P2RX7 (0.34) BRD4
SCHEMBL22349074 0.72 METAP2 (0.37) METAP2HSP90AA1HSP90AB1LCK
SCHEMBL25241637 0.72 AXL (0.37) BRD4METAP2LCKGAAKDM4E

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 4 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-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
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 (4 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 BRD4 4666/4885METAP2 1395/4885HSP90AA1 4243/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 BRD4 4666/4885METAP2 1395/4885HSP90AA1 4243/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 BRD4 4666/4885METAP2 1395/4885HSP90AA1 4243/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 BRD4 4666/4885METAP2 1395/4885HSP90AA1 4243/4885

“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.