SCHEMBL1428115

SCHEMBL1428115

CN1CCC(n2cc(Br)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
KDM5A P29375 1/20 0.43
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
DYRK1A Q13627 4/20 0.37
GSK3B P49841 3/20 0.37
WNT1 P04628 1/20 0.37
EGFR P00533 2/20 0.37
KHK P50053 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
FLT3 P36888 1/20 0.36
OGA O60502 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL31131503 0.90 KDM5A (0.46) IKBKETBK1KDM5AALOX15GAA
SCHEMBL1404089 0.85
SCHEMBL10195707 0.84 OGA (0.48) IKBKETBK1ALOX15GAASMN1; SMN2
SCHEMBL2799494 0.82 KDM5A (0.40) IKBKETBK1KDM5ADYRK1AGSK3B
SCHEMBL13574170 0.81 KDM5A (0.39) IKBKETBK1KDM5AKHK
SCHEMBL1427831 0.81 KDM5A (0.46) TBK1KDM5ADYRK1AGSK3BCLK2
SCHEMBL1581899 0.81 KDM5A (0.40) KDM5ASMN1; SMN2DYRK1AGSK3BKHK
SCHEMBL31276806 0.81 DYRK1A (0.47) IKBKETBK1BMPR1AACVRL1ACVR1
SCHEMBL2696054 0.81 ACHE (0.44) KDM5ABMPR1AACVRL1ACVR1CLK2
SCHEMBL574364 0.81 ACHE (0.47) KDM5ABMPR1AACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688778-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Biogen MA Inc. (US) 2026-02-11 EP disclosed
WO-2024211696-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2024-10-10 WO disclosed
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-20230399309-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Guangzhou Yufan Nantu Biotechnologies Co., Ltd (CN) 2023-12-14 US disclosed
US-20230399309-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Guangzhou Yufan Nantu Biotechnologies Co., Ltd (CN) 2023-12-14 US disclosed
EP-4240361-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
EP-4223752-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhuhai Yufan Biotechnologies Co., Ltd (CN) 2023-08-09 EP disclosed
EP-3781563-B1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF ZHUHAI YUFAN BIOTECHNOLOGIES CO LTD (CN) 2022-06-29 EP disclosed
WO-2022098807-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 EP disclosed
WO-2009150240-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LIMITED (GB) 2009-12-17 WO disclosed
WO-2009150240-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LIMITED (GB) 2009-12-17 WO disclosed
CN-101023064-A Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-22 CN disclosed
CN-101018780-A Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-15 CN disclosed
EP-1786785-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP disclosed
EP-1784396-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-16 EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 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 (4 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-20230399309-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, VRK1 IKBKE 312/4885TBK1 980/4885KDM5A 1751/4885
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 IKBKE 671/4885TBK1 1573/4885KDM5A 2700/4885
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib ALK, MET, ERBB2 IKBKE 1147/4885TBK1 716/4885KDM5A 954/4885
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, HIPK1, PDXK IKBKE 285/4885TBK1 1440/4885KDM5A 1690/4885

“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.