SCHEMBL21033714

SCHEMBL21033714

Nc1ccc(C2(O)COC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.40
OGA O60502 2/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
NNMT P40261 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
SCHEMBL30434221 1.00 GABRA5 (0.40) GABRA5OGANOS3NOS2GABRP
SCHEMBL17298724 0.82 NOS3 (0.40) GABRA5NOS3NOS2GABRPGABRD
SCHEMBL17055342 0.82 OGA (0.40) GABRA5OGANOS3NOS2GABRP
SCHEMBL23361675 0.79 NOS3 (0.38) GABRA5OGANOS3NOS2GABRP
SCHEMBL21949396 0.79 ALOX5AP (0.38) GABRA5OGANOS3NOS2GABRP
SCHEMBL19283986 0.78 WDR91 (0.40) GABRA5OGASMN1; SMN2KDM4EWDR91
SCHEMBL31572560 0.78 WDR91 (0.40) GABRA5OGASMN1; SMN2KDM4EWDR91
SCHEMBL31419339 0.75 GABRA5 (0.41) GABRA5OGAWDR91SLC22A12PIK3CA
SCHEMBL3644606 0.74 WDR91 (0.41) SMN1; SMN2KDM4EWDR91SLC22A12ALDH1A1
SCHEMBL13543769 0.73 PIK3CA (0.42) OGANOS3NOS2KDM4EPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed
EP-3704120-B1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC (US) 2024-03-06 EP disclosed
CN-113735836-B Pyridazine compound and application thereof 江苏先声药业有限公司 2023-05-30 CN disclosed
US-11459338-B2 Heterocyclic compounds as PRMT5 inhibitors JUBILANT EPISCRIBE LLC (US) 2022-10-04 US disclosed
US-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-06 US disclosed
CN-113735836-A Pyridazine compound and application thereof 江苏先声药业有限公司 2021-12-03 CN disclosed
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
EP-3704120-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS Jubilant Episcribe LLC (US) 2020-09-09 EP disclosed
CN-111542523-A Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2020-08-14 CN disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 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 (3 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-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF TYK2, ABL1, PTK2B GABRA5 1781/4885OGA 2228/4885NOS3 2863/4885
US-11459338-B2 Heterocyclic compounds as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 GABRA5 1041/4885OGA 3670/4885NOS3 766/4885
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 GABRA5 1041/4885OGA 3670/4885NOS3 766/4885

“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.