SCHEMBL22980373

SCHEMBL22980373

Brc1cccc2nc(OCc3ccccc3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ DCPS Q96C86 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 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
SCHEMBL16107424 0.76 PIM1 (0.46) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL20597173 0.74 MAPT (0.47) L3MBTL1DCPSSGMS2HTTSTAT3
SCHEMBL4265760 0.71 CYP11B2 (0.48) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL19783484 0.71 STAT3 (0.43) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL2524154 0.71 L3MBTL1 (0.52) L3MBTL1MAOBSMN1; SMN2NUDT1MAPT
SCHEMBL23903601 0.71 PIN1 (0.43) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL18080642 0.71 L3MBTL1 (0.47) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL30178333 0.71 PIN1 (0.43) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL18080639 0.71 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL19783486 0.70 STAT3 (0.41) GABRG2GABRB3GABRA5GABRA3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 — — US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 — — CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 — — EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 — — WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 — — 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 GABRG2 1059/4885GABRB3 2719/4885GABRA5 2809/4885

“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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