SCHEMBL19988605

SCHEMBL19988605

CSc1ccccc1-c1cc2[nH]c3cccnc3c2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ PARP1 P09874 4/20 0.43
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL19988776 0.94 WEE1 (0.44) WEE1ADORA3ADORA2APARP1GABRA1
SCHEMBL19988604 0.91 WEE1 (0.41) WEE1ADORA3ADORA2APARP1GABRA1
SCHEMBL19988775 0.83 WEE1 (0.41) WEE1ADORA2APARP1GABRA1GABRG2
SCHEMBL19988779 0.78 KDM4E (0.43) WEE1ADORA3ADORA2APARP1GABRA1
SCHEMBL19988473 0.78 GABRA1 (0.42) ADORA3ADORA2APARP1GABRA1GABRG2
SCHEMBL19988601 0.77 CHUK (0.48) WEE1ADORA3ADORA2APARP1GABRA1
SCHEMBL19988602 0.77 ACHE (0.48) WEE1PARP1GABRA1GABRG2GABRB3
SCHEMBL19988774 0.76 KDM4E (0.51) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL19988541 0.74 GABRA1 (0.48) ADORA3ADORA2APARP1GABRA1GABRG2
SCHEMBL19988474 0.72 GABRA1 (0.41) ADORA3ADORA2APARP1GABRA1GABRG2

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 WEE1 1212/4885ADORA3 35/4885ADORA2A 465/4885

“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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