SCHEMBL22554309

SCHEMBL22554309

COC(=O)c1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.44
▸ XDH P47989 1/20 0.44
▸ SRC P12931 2/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ NUDT1 P36639 3/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ ULK1 O75385 1/20 0.38

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
SCHEMBL30731054 1.00 ABL1 (0.44) ABL1XDHSRCCYP1A2NUDT1
SCHEMBL30731078 0.86 NUDT1 (0.48) NUDT1GLAGAA
SCHEMBL3603471 0.86 NUDT1 (0.48) NUDT1GLAGAA
SCHEMBL30883103 0.83 ABL1 (0.43) ABL1XDHSRCCYP1A2NUDT1
SCHEMBL26620152 0.83 ABL1 (0.43) ABL1XDHSRCCYP1A2NUDT1
SCHEMBL30731002 0.83 DAO (0.44) NUDT1PRKCIDAO
SCHEMBL22554070 0.83 DAO (0.44) NUDT1PRKCIDAO
SCHEMBL30226495 0.82 ABL1 (0.45) ABL1SRCCYP1A2NUDT1PRKCI
SCHEMBL7975640 0.82 GLA (0.48) ABL1SRCCYP1A2NUDT1DYRK1A
SCHEMBL899166 0.82 ABL1 (0.45) ABL1SRCCYP1A2NUDT1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270757-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2024-08-15 — — US disclosed
CN-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 — — CN disclosed
US-11939344-B2 Spirocyclic compounds ASTRAZENECA AB (SE) 2024-03-26 — — US disclosed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 — — US disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 — — US disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 — — US disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 — — CN disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 — — CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 — — EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US 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 (5 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C ABL1 235/4885XDH 1762/4885SRC 757/4885
US-20240270757-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI ABL1 1333/4885XDH 1507/4885SRC 1223/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C ABL1 235/4885XDH 1762/4885SRC 757/4885
US-11939344-B2 Spirocyclic compounds PKD1, PKD2, NR5A1 ABL1 2004/4885XDH 1787/4885SRC 1540/4885
US-20230357279-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI ABL1 1333/4885XDH 1507/4885SRC 1223/4885

“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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