SCHEMBL130407

SCHEMBL130407

Cn1ncc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 1.00
PI4K2B Q8TCG2 2/20 1.00
PI4K2A Q9BTU6 2/20 1.00
PI4KB Q9UBF8 2/20 1.00
XDH P47989 5/20 0.54
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX15 P16050 1/20 0.53
EGFR P00533 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
NSD2 O96028 1/20 0.51
PKM P14618 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL25237125 0.78 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL256211 0.78 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL1597202 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL30788410 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29139991 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL13510 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL12826084 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL4379601 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL25605061 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL12206789 0.76 PI4KB (0.61) PI4KAPI4K2BPI4K2API4KBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN claimed
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 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
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
CN-114286711-A Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity 风暴治疗有限公司 2022-04-05 CN disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
US-7517978-B1 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2009-04-14 US disclosed
US-7517978-B1 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2009-04-14 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 PI4KA 1831/4885PI4K2B 2061/4885PI4K2A 1961/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 PI4KA 3105/4885PI4K2B 2330/4885PI4K2A 3308/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT PI4KA 2780/4885PI4K2B 2783/4885PI4K2A 2544/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A PI4KA 156/4885PI4K2B 140/4885PI4K2A 143/4885
US-11708358-B2 Fungicidal oxadiazoles OXA1L, NOX1, TH PI4KA 2347/4885PI4K2B 3044/4885PI4K2A 3343/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 PI4KA 667/4885PI4K2B 860/4885PI4K2A 807/4885

“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.