SCHEMBL17889388

SCHEMBL17889388

Cn1ncc2c(Cl)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HSP90AA1 P07900 6/20 0.44
TRAP1 Q12931 4/20 0.44
HSP90AB1 P08238 1/20 0.43
ADA P00813 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90B1 P14625 1/20 0.42
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.38
CYP1A2 P05177 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
SCHEMBL130702 0.81 PI4KA (0.56) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL55774 0.81 PDE2A (0.64) PDE2AGAAALDH1A1KMT2AKDM4E
SCHEMBL18343699 0.79 PDE2A (0.49) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL31106964 0.78 PDE2A (0.47) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL24954062 0.78 PDE2A (0.47) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL31403622 0.77 ADORA2A (0.46) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL8221333 0.77 HSP90AA1 (0.52) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL8418316 0.76 ADORA2A (0.42) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL29950508 0.76 PDE2A (0.43) PDE2AHSP90AA1GAAALDH1A1KMT2A
SCHEMBL27028464 0.76 PDE2A (0.43) PDE2AHSP90AA1GAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 US disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
EP-4059934-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS Novartis AG (CH) 2022-09-21 EP disclosed
EP-3510033-B1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-11-24 EP disclosed
CN-108699064-B Hexahydropyrazino-triazinone derivatives as kinase inhibitors UCB生物制药私人有限公司 2021-09-14 CN disclosed
EP-3386984-B1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SRL (BE) 2021-08-11 EP disclosed
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors NOVARTIS AG (CH) 2021-03-23 US disclosed
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2019-10-22 US disclosed
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 US disclosed
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 US disclosed
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-12-20 US disclosed
EP-3386984-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-10-17 EP disclosed
EP-2935269-B1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-04-11 EP disclosed
WO-2018047081-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2018-03-15 WO disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
WO-2017097871-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-15 WO disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 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 (7 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 PDE2A 1357/4885ADORA2A 129/4885ADORA1 545/4885
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 PDE2A 2973/4885ADORA2A 1492/4885ADORA1 1505/4885
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 PDE2A 2973/4885ADORA2A 1492/4885ADORA1 1505/4885
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 PDE2A 2973/4885ADORA2A 1492/4885ADORA1 1505/4885
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors TLR3, TLR1, TLR4 PDE2A 2973/4885ADORA2A 1492/4885ADORA1 1505/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B PDE2A 2580/4885ADORA2A 2512/4885ADORA1 3504/4885
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2B PDE2A 2580/4885ADORA2A 2512/4885ADORA1 3504/4885

“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.