SCHEMBL19988541

SCHEMBL19988541

Brc1cc2[nH]c3cccnc3c2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.48
▸ GABRG2 P18507 3/20 0.48
▸ GABRB3 P28472 3/20 0.48
▸ GABRA5 P31644 3/20 0.48
▸ GABRA3 P34903 3/20 0.48
▸ GABRA2 P47869 3/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ PARP1 P09874 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PRNP P04156 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL19988522 0.89 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19988520 0.85 ADORA3 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19974107 0.79 MEN1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21923868 0.79 ALDH1A1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29387190 0.78 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31728 0.78 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14330604 0.76 ADORA3 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19988646 0.76 NPC1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13556881 0.75 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14329652 0.74 ADORA3 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 — — EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 — — US disclosed
WO-2018050583-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 — — 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 (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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 GABRA1 1058/4885GABRG2 1996/4885GABRB3 540/4885

“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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