SCHEMBL400011

SCHEMBL400011

Nc1nccc2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.48
PI4KA P42356 1/20 0.48
XDH P47989 1/20 0.48
LRRK2 Q5S007 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
DRD1 P21728 4/20 0.43
NOS1 P29475 4/20 0.42
AXL P30530 2/20 0.42
NOS3 P29474 3/20 0.41
NOS2 P35228 3/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
BACE1 P56817 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
METAP2 P50579 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL8802690 0.79 DRD1 (0.54) DRD1NOS1AXLIDO1
SCHEMBL31509830 0.75 NOS1 (0.52) DRD1NOS1AXLIDO1TDO2
SCHEMBL26116145 0.75 NOS1 (0.52) DRD1NOS1AXLIDO1TDO2
SCHEMBL382320 0.75 NOS1 (0.52) DRD1NOS1AXLIDO1METAP2
SCHEMBL29366567 0.75 NOS1 (0.52) DRD1NOS1AXLIDO1METAP2
SCHEMBL1155424 0.75 NOS1 (0.42) DRD1NOS1AXLIDO1METAP2
SCHEMBL25175308 0.72 PIK3CA (0.43) DRD1NOS1NOS3NOS2IDO1
SCHEMBL29799637 0.72 PI4KA (0.55) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL19664493 0.72 CCNA2 (0.49) DRD1NOS1AXLRAF1BRAF
SCHEMBL12321248 0.71 NOS1 (0.56) NOS1AXLIDO1TDO2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013139882-A1 PYRAZOLOPYRIDINES FOR TREATMENT OF PARKINSONS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 WO claimed
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
US-20250154150-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF SUZHOU YABAO PHARMACEUTICAL R & D CO., LTD. (CN) 2025-05-15 US disclosed
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-04-10 US disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-02-20 US disclosed
EP-4484427-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Suzhou Yabao Pharmaceutical R&D Co., Ltd. (CN) 2025-01-01 EP disclosed
CN-119072478-A Substituted fused ring compounds, pharmaceutical compositions, preparation method and use thereof 苏州亚宝药物研发有限公司 2024-12-03 CN disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 CN disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
US-20060094682-A1 Kinase inhibitors for the treatment of diabetes and obesity ODYSSEY THERA, INC. (US) 2006-05-04 US disclosed
EP-1469810-A2 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-BETA PEPTIDE-RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2004-10-27 EP disclosed
US-20040028673-A1 Compositions and methods for prevention and treatment of amyloid-beta peptide-related disorders ROCKEFELLER UNIVERSITY, THE 2004-02-12 US disclosed
US-20030199002-A1 Clk-2 nucleic acids, polypeptides and uses thereof MMV FINANCIAL INC. (CA) 2003-10-23 US disclosed
WO-2003057165-A2 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-β PEPTIDE-RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2003-07-17 WO disclosed
US-5593997-A 4-aminopyrazolo(3-,4-D)pyrimidine and 4-aminopyrazolo-(3,4-D)pyridine tyrosine kinase inhibitors PFIZER INC. (US) 1997-01-14 US disclosed
US-5593997-A 4-aminopyrazolo(3-,4-D)pyrimidine and 4-aminopyrazolo-(3,4-D)pyridine tyrosine kinase inhibitors PFIZER INC. (US) 1997-01-14 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 (7 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-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 RET 1032/4885PI4KA 162/4885XDH 212/4885
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 RET 1795/4885PI4KA 1073/4885XDH 223/4885
US-20040028673-A1 Compositions and methods for prevention and treatment of amyloid-beta peptide-related disorders BACE1, APP, BACE2 RET 4279/4885PI4KA 1957/4885XDH 2293/4885
US-20250154150-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF LRRK2, WEE2, WEE1 RET 619/4885PI4KA 493/4885XDH 2629/4885
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 RET 1406/4885PI4KA 847/4885XDH 574/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 RET 686/4885PI4KA 80/4885XDH 364/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK RET 476/4885PI4KA 237/4885XDH 3346/4885

“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.