SCHEMBL402053

SCHEMBL402053

Nc1nccc2cn[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NOS1 P29475 4/20 0.42
MAPKAPK2 P49137 4/20 0.41
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
RET P07949 2/20 0.41
LRRK2 Q5S007 2/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK1 O14757 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL12480398 0.75 NOS1 (0.52) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL2366705 0.75 NOS1 (0.52) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL12480129 0.75 MAPT (0.48) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL1154955 0.75 NOS1 (0.42) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL12726403 0.75 MAPT (0.41) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL4720161 0.73 ALDH1A1 (0.44) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL18237595 0.72 MAPT (0.42) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL29494919 0.72 BTK (0.54) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL24655009 0.71 MAPT (0.41) MAPTNOS1MAPKAPK2NOS3NOS2
SCHEMBL20156792 0.71 MAPT (0.41) MAPTNOS1MAPKAPK2NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125375-A1 SUBSTITUTED 1H-PYRAZOLO-PYRIDINE AND -PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2026-05-07 US disclosed
EP-3082809-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2021-01-20 EP disclosed
US-9834554-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9637486-B2 Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-20160326164-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 US disclosed
US-20160311820-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
EP-3082809-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
EP-3082811-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015095099-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095102-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160326164-A1 BTK INHIBITORS BTK, SYK, LYN MAPT 3114/4885NOS1 2370/4885MAPKAPK2 285/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NOS1 1919/4885MAPKAPK2 96/4885
US-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 MAPT 1073/4885NOS1 1530/4885MAPKAPK2 43/4885
US-20260125375-A1 SUBSTITUTED 1H-PYRAZOLO-PYRIDINE AND -PYRIMIDINE COMPOUNDS CCR1, CCR6, CCRL2 MAPT 4777/4885NOS1 3221/4885MAPKAPK2 4560/4885
US-20160311820-A1 BTK INHIBITORS BTK, SYK, LYN MAPT 3114/4885NOS1 2370/4885MAPKAPK2 285/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885NOS1 1919/4885MAPKAPK2 96/4885

“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.