SCHEMBL26145361

SCHEMBL26145361

COc1c(F)cc(C)c2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DBH P09172 1/20 0.34
▸ BRD4 O60885 4/20 0.33
▸ RPS6KA3 P51812 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PIM1 P11309 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
SCHEMBL20576006 0.81 RHEB (0.36) ALDH1A1DBHBRD4RPS6KA3TUBB1
SCHEMBL26145362 0.79 NQO2 (0.40) NQO2CYP19A1KDM4EALDH1A1RXFP1
SCHEMBL21725759 0.79 P2RX7 (0.34) DBHBRD4RPS6KA3
SCHEMBL26145674 0.78 AURKA (0.36) KDM4EALDH1A1RPS6KA3AURKADAPK3
SCHEMBL31359703 0.75 CA2 (0.36) NQO2ALDH1A1DBHBRD4RPS6KA3
SCHEMBL18876038 0.74 P2RX7 (0.38) KDM4EALDH1A1RPS6KA3AURKADAPK3
SCHEMBL806287 0.74 TNF (0.39) RPS6KA3AURKADAPK3JAK2PRKD3
SCHEMBL30128153 0.72 EGFR (0.34) DBHJAK2BTK
SCHEMBL20576307 0.72 EGFR (0.34) DBHJAK2BTK
SCHEMBL25647648 0.71 NQO2 (0.42) NQO2CYP19A1KDM4EALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 — — US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 — — 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 (1 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-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 NQO2 2552/4885CYP19A1 2658/4885KDM4E 4212/4885

“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.

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