SCHEMBL19988604

SCHEMBL19988604

CSc1ccccc1-c1cc2[nH]c3cccnc3c2c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ GABRA1 P14867 4/20 0.37
▸ GABRG2 P18507 4/20 0.37
▸ GABRB3 P28472 4/20 0.37
▸ GABRA5 P31644 4/20 0.37
▸ GABRA3 P34903 4/20 0.37
▸ GABRA2 P47869 4/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36

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
SCHEMBL19988605 0.91 WEE1 (0.45) WEE1MAPTADORA3ADORA2AGABRA1
SCHEMBL19988776 0.85 WEE1 (0.44) WEE1MAPTADORA3ADORA2AGABRA1
SCHEMBL19988602 0.81 ACHE (0.48) WEE1MAPTGABRA1GABRG2GABRB3
SCHEMBL19988601 0.81 CHUK (0.48) WEE1MAPTADORA3ADORA2AGABRA1
SCHEMBL19988480 0.81 MAPT (0.39) MAPTADORA3ADORA2AGABRA1GABRG2
SCHEMBL19988775 0.77 WEE1 (0.41) WEE1MAPTADORA2AGABRA1GABRG2
SCHEMBL19988521 0.75 ADORA3 (0.48) MAPTADORA3ADORA2AGABRA1GABRG2
SCHEMBL19988520 0.74 ADORA3 (0.47) MAPTADORA3ADORA2AGABRA1GABRG2
SCHEMBL19988779 0.70 KDM4E (0.43) WEE1ADORA3ADORA2AGABRA1GABRG2
SCHEMBL19988473 0.70 GABRA1 (0.42) MAPTADORA3ADORA2AGABRA1GABRG2

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 1212/4885MAPT 2010/4885ADORA3 35/4885

“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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