SCHEMBL21767317

SCHEMBL21767317

CC(C)(C)[Si](C)(C)Oc1cccc(-c2cn3c(=O)c(Cc4ccco4)nc-3c(Cc3ccccc3)[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ ADORA2B P29275 8/20 0.33
▸ ADORA2A P29274 7/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL30514739 0.93 MAOA (0.38) MAOAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21751381 0.93 MAOA (0.38) MAOAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21751456 0.93 ADORA2A (0.31) MAOAADORA2BADORA2ATSHRHSD17B10
SCHEMBL21751374 0.93 NPSR1 (0.33) MAOATSHRHSD17B10CYP1A2CYP3A4
SCHEMBL30800177 0.90 ADORA2A (0.32) MAOAADORA2BADORA2ATSHRHSD17B10
SCHEMBL21751428 0.90 ADORA2A (0.32) MAOAADORA2BADORA2ATSHRHSD17B10
SCHEMBL19810295 0.89 CYP1A2 (0.43) TSHRHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL30800221 0.89 CYP1A2 (0.43) TSHRHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL21751395 0.89 LTB4R (0.40) MAOAADORA2AHSD17B10CYP1A2CYP3A4
SCHEMBL21751418 0.89 SMN1; SMN2 (0.39) MAOAHSD17B10ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060054-A Nitroaromatic ring substituted imidazopyrazine compound and preparation method and application thereof 南京中医药大学 2024-12-03 — — CN disclosed
US-11691976-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2023-07-04 — — US disclosed
US-20200062766-A1 COELENTERAZINE ANALOGUES PROMEGA CORPORATION 2020-02-27 — — 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 (2 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-20200062766-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 MAOA 3004/4885ADORA2B 3105/4885ADORA2A 1970/4885
US-11691976-B2 Coelenterazine analogues GLB1, SI, TCF7L2 MAOA 3004/4885ADORA2B 3105/4885ADORA2A 1970/4885

“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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