SCHEMBL5333364

SCHEMBL5333364

O=C1C=Cc2cnccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ BCHE P06276 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ CYP19A1 P11511 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ TNF P01375 1/20 0.30

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
SCHEMBL29395256 1.00 SIGMAR1 (0.42) SIGMAR1GSK3AGSK3BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5740537 0.98 SIGMAR1 (0.41) SIGMAR1GSK3AGSK3BCHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL28871686 0.86 KDM1A (0.36) SIGMAR1
SCHEMBL2007099 0.84 SIGMAR1 (0.42) SIGMAR1GSK3AGSK3BCHRNB2CHRNA4
SCHEMBL19447878 0.76 CYP11B2 (0.46) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL27269792 0.72 GSK3A (0.43) GSK3AGSK3B
SCHEMBL30130240 0.71 SIGMAR1 (0.36) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL29421729 0.70 GSK3A (0.46) GSK3AGSK3BBCHEMAOAMAOB
SCHEMBL461295 0.70 GSK3A (0.46) GSK3AGSK3BBCHEMAOAMAOB
SCHEMBL13859951 0.69 CYP11B1 (0.37) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481826-A1 TYROSINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2019-05-15 — — EP claimed
WO-2018009938-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2018-01-11 — — WO claimed
WO-2016183071-A1 HETERO-TRICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2016-11-17 — — WO claimed
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 — — EP claimed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 — — WO claimed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 — — WO claimed
US-11672791-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-06-13 — — US disclosed
US-20230012676-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-01-19 — — US disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 — — CN disclosed
CN-115087486-A Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2022-09-20 — — CN disclosed
CN-112979644-B Method for preparing fluoromethylation indole [2,1, a ] isoquinoline derivative by using photocatalysis microchannel 南京工业大学 2021-11-30 — — CN disclosed
EP-3481826-B1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2021-11-03 — — EP disclosed
EP-3887478-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
WO-2020085234-A1 MORPHINAN DERIVATIVE 日本ケミファ株式会社 2020-04-30 — — WO disclosed
EP-3481826-A1 TYROSINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2019-05-15 — — EP disclosed
WO-2018009938-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2018-01-11 — — WO disclosed
WO-2016183071-A1 HETERO-TRICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2016-11-17 — — WO disclosed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 — — WO disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 — — EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 — — 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-20230012676-A1 TYROSINE KINASE INHIBITORS TYRO3, AXL, RET SIGMAR1 874/4885GSK3A 1137/4885GSK3B 1024/4885
US-11672791-B2 Tyrosine kinase inhibitors TYRO3, AXL, RET SIGMAR1 874/4885GSK3A 1137/4885GSK3B 1024/4885

“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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