SCHEMBL2822778

SCHEMBL2822778

Cn1ncc2c(I)ccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
CCR4 P51679 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
NSD2 O96028 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL31175304 1.00 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL256212 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL12536680 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL30324182 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL30303232 0.77 CCR4 (0.49) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL129887 0.77 CCR4 (0.49) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL889766 0.77 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL20030782 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL31507588 0.77 KDM4E (0.31) KDM4EALDH1A1SMN1; SMN2ALOX15TP53
SCHEMBL21816139 0.77 PIM1 (0.42) PI4KAPI4K2BPI4K2API4KBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20220315583-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
EP-2863748-A2 1,2,4-TRIAZINE-6-CARBOXAMIDE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2015-04-29 EP disclosed
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
WO-2013192049-A2 1,2,4-TRIAZINE-6-CARBOXAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-12-27 WO disclosed
US-20130345191-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
EP-2061790-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 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 (8 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 PI4KA 2002/4885PI4K2B 1291/4885PI4K2A 1591/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PI4KA 1736/4885PI4K2B 1856/4885PI4K2A 1876/4885
US-20130345191-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE KINASE INHIBITORS SYK, ZAP70, BTK PI4KA 161/4885PI4K2B 201/4885PI4K2A 174/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PI4KA 1736/4885PI4K2B 1856/4885PI4K2A 1876/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PI4KA 1736/4885PI4K2B 1856/4885PI4K2A 1876/4885
US-11708358-B2 Fungicidal oxadiazoles OXA1L, NOX1, TH PI4KA 2347/4885PI4K2B 3044/4885PI4K2A 3343/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PI4KA 1736/4885PI4K2B 1856/4885PI4K2A 1876/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PI4KA 1736/4885PI4K2B 1856/4885PI4K2A 1876/4885

“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.