SCHEMBL7021288

SCHEMBL7021288

Nc1ncnc2[nH]cc(-c3ccccc3)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.63
PRKACA P17612 7/20 0.60
GSK3B P49841 7/20 0.60
GSK3A P49840 6/20 0.60
CDK5 Q00535 6/20 0.60
ROCK1 Q13464 6/20 0.60
DYRK1A Q13627 6/20 0.60
MAP4K4 O95819 6/20 0.60
PRKD3 O94806 5/20 0.60
CLK2 P49760 5/20 0.60
MAP4K2 Q12851 5/20 0.60
NTRK1 P04629 5/20 0.60
CLK4 Q9HAZ1 5/20 0.60
TAOK1 Q7L7X3 4/20 0.60
NTRK3 Q16288 4/20 0.60
NTRK2 Q16620 4/20 0.60
PAK4 O96013 3/20 0.60
MAP2K1 Q02750 3/20 0.60
CAMK2A Q9UQM7 3/20 0.60
ALK Q9UM73 3/20 0.60

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
SCHEMBL29552165 0.87 NUDT14 (0.55) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL410257 0.87 NUDT14 (0.55) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL24710755 0.86 LRRK2 (0.51) LRRK2PRKACAGSK3BGSK3ACDK5
Bromide SCHEMBL6865619 0.85 NUDT14 (0.54) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL28057752 0.85 RET (0.48) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL1896766 0.83 STK3 (0.58) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL4352960 0.83 LRRK2 (0.58) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL23917432 0.83 LRRK2 (0.50) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL8107167 0.83 FLT3 (0.46) LRRK2PRKACAGSK3BGSK3ACDK5
SCHEMBL3787081 0.83 SRC (0.50) LRRK2PRKACAGSK3BGSK3ACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 US disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 US disclosed
US-20150182530-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2015-07-02 US disclosed
US-8962635-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-8962831-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed
EP-0888353-A1 NOVEL N-7-HETEROCYCLYL PYRROLO 2,3-D]PYRIDINES AND THEIR USE Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997034895-A1 NOVEL N-7-HETEROCYCLYL PYRROLO[2,3-D]PYRIDINES AND THEIR USE NOVARTIS AG (CH) 1997-09-25 WO disclosed
WO-1997032879-A1 7-ALKYL-PYRROLO[2,3-d]PYRIMIDINES NOVARTIS AG (CH) 1997-09-12 WO disclosed
WO-1997028161-A1 NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 1997-08-07 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 (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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK LRRK2 560/4885PRKACA 216/4885GSK3B 456/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK LRRK2 560/4885PRKACA 216/4885GSK3B 456/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 LRRK2 2087/4885PRKACA 478/4885GSK3B 2296/4885
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, TEC LRRK2 796/4885PRKACA 198/4885GSK3B 616/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B LRRK2 714/4885PRKACA 836/4885GSK3B 3843/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN LRRK2 399/4885PRKACA 51/4885GSK3B 233/4885

“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.