SCHEMBL22902872

SCHEMBL22902872

NC(=O)c1cc2ccnc(Cl)c2n2ncnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
TLR8 Q9NR97 1/20 0.36
KDM4E B2RXH2 3/20 0.34
CASP1 P29466 3/20 0.33
HTT P42858 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 2/20 0.31
PDE4B Q07343 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ABL1 P00519 2/20 0.31
KDR P35968 2/20 0.31
TNK2 Q07912 2/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL22902442 0.88 SMN1; SMN2 (0.40) MAP2K1CLK4DYRK1BKDM4EEGLN1
SCHEMBL22902514 0.81 NPC1 (0.41) KDM4ECASP1HTTLMNAL3MBTL1
SCHEMBL29523025 0.81 NPC1 (0.41) KDM4ECASP1HTTLMNAL3MBTL1
SCHEMBL22902510 0.80 CSNK1D (0.38) TLR8KDM4EJAK2PDE4BNTRK1
SCHEMBL22902470 0.77 CASP1 (0.36) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL22902757 0.77 LCK (0.42) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL29790049 0.75 KDM4E (0.45) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL22902579 0.74 JAK2 (0.36) TLR8KDM4ECASP1L3MBTL1JAK2
SCHEMBL22902849 0.73 ADORA2A (0.45) CLK4DYRK1BKDM4EJAK2PDE4B
SCHEMBL29790129 0.72 IKBKB (0.42) MAP2K1CLK4DYRK1BTLR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
US-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-08-18 US disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 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 (2 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-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 MAP2K1 1251/4885CLK4 2080/4885DYRK1B 1492/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 MAP2K1 1251/4885CLK4 2080/4885DYRK1B 1492/4885

“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.