SCHEMBL30101455

SCHEMBL30101455

COc1cnc2c(c1)CNC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
RYR2 Q92736 1/20 0.38
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
HTR2C P28335 3/20 0.34
RELA Q04206 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SRC P12931 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PDK2 Q15119 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 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
Hydrochloric Acid SCHEMBL28483667 0.98 KCNH2 (0.37) KCNH2RYR2CHRNB2CHRNA4HTR2C
SCHEMBL8260982 0.75 DRD2 (0.35)
SCHEMBL25153141 0.74 HTR2C (0.43) KCNH2RYR2HTR2CHTR2AHTR2B
SCHEMBL30370418 0.74 HTR2C (0.43) KCNH2RYR2HTR2CHTR2AHTR2B
SCHEMBL21941108 0.73 CHRNB2 (0.35) KCNH2CHRNB2CHRNA4HTR2CSRC
SCHEMBL21465751 0.73 HTR2C (0.43) KCNH2RYR2CHRNB2CHRNA4HTR2C
SCHEMBL4065673 0.72 ADRA2A (0.44) RELACYP11B2KDM4EALDH1A1MAPT
SCHEMBL3871102 0.71 PNMT (0.37) KDM4EALDH1A1MAPTHTTROCK1
SCHEMBL16058900 0.71 CYP1A2 (0.31)
SCHEMBL1615486 0.70 CHRNB2 (0.33) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-20 US claimed
US-20240116909-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-04-11 US claimed
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-03 US disclosed
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2025-01-30 US disclosed
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-20 US disclosed
US-20240116909-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-04-11 US disclosed
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2023-06-22 US disclosed
US-11566020-B1 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2023-01-31 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-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KCNH2 4240/4885RYR2 4644/4885CHRNB2 4647/4885
US-20240116909-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, CGAS, IRF3 KCNH2 3630/4885RYR2 2290/4885CHRNB2 2261/4885
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS KCNH2 3103/4885RYR2 1921/4885CHRNB2 2810/4885
US-11566020-B1 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 KCNH2 4240/4885RYR2 4644/4885CHRNB2 4647/4885
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS KCNH2 2916/4885RYR2 2941/4885CHRNB2 948/4885
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KCNH2 4240/4885RYR2 4644/4885CHRNB2 4647/4885

“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.