SCHEMBL20522370

SCHEMBL20522370

Cc1ccc2[nH]cnc2c1.Cc1ccc2c(c1)ncn2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
PARP1 P09874 2/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KA3 P51812 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
SCHEMBL832377 0.88 GABRG2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28349234 0.79 ASAH1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL832385 0.78 BRD4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1455275 0.76 HTR6 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30847454 0.74 SIK1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL559567 0.74 SIK1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4819554 0.74 GABRG2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL482648 0.74 NR1H2 (0.43) GABRG2GABRB3GABRA5CHEK1FGFR1
SCHEMBL29178096 0.74 FGFR1 (0.45) FGFR1GAANPC1RAB9ASMN1; SMN2
SCHEMBL34467402 0.73 FGFR1 (0.51) FGFR1NPC1RAB9AKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
US-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 US disclosed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 US disclosed
EP-3601269-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2020-02-05 EP disclosed
WO-2018178384-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2018-10-04 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 (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-20200377493-A1 NOVEL INHIBITORS GLUL, GLS, QPCT GABRP 296/4885GABRD 394/4885GABRA1 798/4885
US-11339152-B2 Inhibitors GLUL, QPCT, GLS GABRP 327/4885GABRD 367/4885GABRA1 762/4885

“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.