SCHEMBL400396

SCHEMBL400396

Nc1nccn2nccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.57
NOS3 P29474 4/20 0.40
NOS2 P35228 4/20 0.40
NOS1 P29475 2/20 0.40
NUDT1 P36639 1/20 0.40
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SMPD3 Q9NY59 1/20 0.34
BACE1 P56817 2/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
DYRK1A Q13627 1/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
PIK3CA P42336 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL2849280 0.76 MAP4K4 (0.53) MAP4K4SMPD3DYRK1AEGFRPOLB
SCHEMBL21855919 0.74 MAP4K4 (0.34) MAP4K4PIK3CAPIK3CD
SCHEMBL15754016 0.74 DRD2 (0.35) MAP4K4PIK3CAPIK3CD
SCHEMBL1155143 0.74 MAP4K4 (0.34) MAP4K4PIK3CAPIK3CD
SCHEMBL15760559 0.74 MAP4K4 (0.35) MAP4K4DYRK1APIK3CAPIK3CD
SCHEMBL24589127 0.74 MAP4K4 (0.34) MAP4K4PIK3CAPIK3CD
SCHEMBL17687704 0.74 MAP4K4 (0.34) MAP4K4PIK3CAPIK3CD
SCHEMBL20265548 0.74 MAP4K4 (0.40) MAP4K4EGFR
SCHEMBL58274 0.72 MAP4K4 (1.00) MAP4K4SMPD3EGFRPIK3CA
Hydrochloric Acid SCHEMBL15019896 0.71 MAP4K4 (0.96) MAP4K4EGFRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
CN-117136052-A CDK inhibitors and methods of use thereof 传达治疗有限公司 2023-11-28 CN disclosed
WO-2023168686-A1 SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2023-09-14 WO disclosed
CN-115806551-A Pyrazole-containing polycyclic derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-03-17 CN disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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 (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-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAP4K4 97/4885NOS3 1824/4885NOS2 2324/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAP4K4 97/4885NOS3 1824/4885NOS2 2324/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAP4K4 97/4885NOS3 1824/4885NOS2 2324/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 MAP4K4 97/4885NOS3 1824/4885NOS2 2324/4885

“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.