SCHEMBL319795

SCHEMBL319795

FC(F)(F)c1cc2cc(-c3cncc(-c4ccnc(Cl)c4)c3)cnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PIK3CA P42336 2/20 0.35
IDO1 P14902 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL320832 0.79 GABRG2 (0.45) ULK1MAPK13MAPK12MAPK14
SCHEMBL320741 0.70 PDGFRB (0.62) PIK3CAPIK3CDPIK3CBPIK3CGCYP19A1
SCHEMBL28242154 0.66 PIK3CA (0.47) S1PR1S1PR3PIK3CAIDO1PIK3CD
SCHEMBL320312 0.65 CYP2A6 (0.50) S1PR1S1PR3IDO1CYP19A1AAK1
SCHEMBL1773112 0.65 KDM4E (0.36) ULK1
SCHEMBL320478 0.65 DYRK1A (0.40) PDGFRBPDGFRA
SCHEMBL4027001 0.64 IDO1 (0.55) S1PR1S1PR3IDO1CYP19A1
SCHEMBL4753951 0.64 IDO1 (0.49) IDO1CYP19A1
SCHEMBL857442 0.63 DAO (0.49)
SCHEMBL30165675 0.63 DAO (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018167147-A1 AZAINDOLES AS INHIBITORS OF HPK1 F. HOFFMANN-LA ROCHE AG (CH) 2018-09-20 WO claimed
US-11944606-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2024-04-02 US disclosed
EP-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-09-30 US disclosed
US-10952995-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2021-03-23 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 EP disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 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 (5 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-20130102608-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 ULK1 430/4885S1PR1 1569/4885S1PR3 1722/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 ULK1 430/4885S1PR1 1569/4885S1PR3 1722/4885
US-10952995-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 ULK1 5/4885S1PR1 2514/4885S1PR3 2533/4885
US-11944606-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 ULK1 5/4885S1PR1 2514/4885S1PR3 2533/4885
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 HIPK1, HIPK2, PPIP5K2 ULK1 5/4885S1PR1 2514/4885S1PR3 2533/4885

“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.