SCHEMBL21137294

SCHEMBL21137294

CNc1ccc2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
RIPK1 Q13546 6/20 0.34
TNIK Q9UKE5 1/20 0.32
ENPP1 P22413 1/20 0.31
ACVRL1 P37023 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30
MBOAT4 Q96T53 1/20 0.30
TNK2 Q07912 2/20 0.30
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
NTRK1 P04629 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL22326695 0.83 MAP4K4 (0.43) MAP4K4RIPK1TNIK
SCHEMBL64667 0.77 MAP4K4 (0.44) MAP4K4RIPK1TNIKENPP1ACVRL1
SCHEMBL20820178 0.76 MAP4K4 (0.47) MAP4K4RIPK1TNIKENPP1ACVRL1
SCHEMBL15740086 0.75 MAP4K4 (0.46) MAP4K4RIPK1TNIKACVRL1TNK2
SCHEMBL17238976 0.73 MAP4K4 (0.44) MAP4K4RIPK1TNIKEGFRKDR
SCHEMBL13075167 0.73 MAP4K4 (0.44) MAP4K4RIPK1TNIK
SCHEMBL57305 0.73 MAP4K4 (0.44) MAP4K4RIPK1TNIK
SCHEMBL25714861 0.73 MAP4K4 (0.44) MAP4K4RIPK1TNIKACVRL1EGFR
SCHEMBL21943279 0.73 PI4KA (0.36) MAP4K4CSNK2A2CSNK2A1PI4KAPI4K2B
SCHEMBL19402915 0.73 MAP4K4 (0.41) MAP4K4RIPK1TNIKACVRL1TNK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
WO-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 WO disclosed
WO-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 WO disclosed
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 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 (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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS MAP4K4 2827/4885RIPK1 920/4885TNIK 890/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS MAP4K4 3096/4885RIPK1 923/4885TNIK 947/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS MAP4K4 3096/4885RIPK1 923/4885TNIK 947/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS MAP4K4 3096/4885RIPK1 923/4885TNIK 947/4885
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT MAP4K4 4104/4885RIPK1 4055/4885TNIK 3778/4885
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT MAP4K4 4104/4885RIPK1 4055/4885TNIK 3778/4885

“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.