SCHEMBL1593072

SCHEMBL1593072

Cc1n[nH]c2ncc(N)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
RET P07949 2/20 0.33
LRRK2 Q5S007 2/20 0.33
PI4KA P42356 1/20 0.33
XDH P47989 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.31
NTRK1 P04629 1/20 0.31
CYP1A2 P05177 2/20 0.31
PDPK1 O15530 1/20 0.31
PIK3CA P42336 2/20 0.31
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
CHEK1 O14757 2/20 0.30
AURKA O14965 2/20 0.30
DAPK3 O43293 1/20 0.30

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
SCHEMBL1496203 0.80 BRAF (0.45) CYP1A2
SCHEMBL2616774 0.80 PDK2 (0.36) ADORA2AADORA2B
SCHEMBL1496216 0.78 PDPK1 (0.43) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL1496247 0.78 BRAF (0.39) MAPK1
SCHEMBL23063609 0.77 CHEK1 (0.38) ADORA2AADORA2BGSK3BGSK3AMAPK1
SCHEMBL1593590 0.77 JAK2 (0.37) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL18552941 0.77 MEN1 (0.41) ADORA2AADORA2BCYP1A2LMNACHEK1
SCHEMBL20247407 0.77 BRD4 (0.34) ADORA2AADORA2BGSK3BGSK3AMAPK1
SCHEMBL18921901 0.77 CDK9 (0.35) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL14070089 0.77 GRM4 (0.39) ADORA2AADORA2BGSK3BGSK3ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596074-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-12-14 EP disclosed
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA 2021-04-06 US disclosed
US-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2020-11-26 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10745407-B2 Heterocyclic derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-08-18 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
WO-2018167690-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-09-20 WO disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US disclosed
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2008-02-21 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 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 (10 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA ADORA2A 317/4885ADORA2B 1012/4885RET 3344/4885
US-10745407-B2 Heterocyclic derivatives for the treatment of cystic fibrosis CFTR, ABCC1, ABCC5 ADORA2A 3057/4885ADORA2B 3089/4885RET 2817/4885
US-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC1 ADORA2A 3120/4885ADORA2B 2699/4885RET 3322/4885
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC1 ADORA2A 3120/4885ADORA2B 2699/4885RET 3322/4885
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ADORA2A 317/4885ADORA2B 1012/4885RET 3344/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 3806/4885ADORA2B 3292/4885RET 282/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ADORA2A 317/4885ADORA2B 1012/4885RET 3344/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885ADORA2B 3226/4885RET 275/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ADORA2A 317/4885ADORA2B 1012/4885RET 3344/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885ADORA2B 3226/4885RET 275/4885

“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.