SCHEMBL30101461

SCHEMBL30101461

c1cc2c(cc1OC1CCCNC1)CNC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.56
ROCK2 O75116 2/20 0.52
PRKX P51817 1/20 0.52
PRKCE Q02156 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKD1 Q15139 1/20 0.52
KCNH2 Q12809 1/20 0.51
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
TIPARP Q7Z3E1 1/20 0.47
ALK Q9UM73 1/20 0.45
PRKCZ Q05513 1/20 0.45
PARP1 P09874 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
P2RX7 Q99572 2/20 0.41
CHEK2 O96017 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL30101411 0.81 HRH3 (0.56) ROCK1ROCK2PRKCDTIPARPPRKCZ
Hydrochloric Acid SCHEMBL31210180 0.80 HRH3 (0.44) ROCK1ROCK2PRKCDTIPARPPRKCZ
SCHEMBL17585075 0.77 HRH3 (0.56) KCNH2HRH3
SCHEMBL3089654 0.76 HRH3 (0.76) ROCK1HRH3
SCHEMBL3089656 0.76 HRH3 (0.76) ROCK1HRH3
SCHEMBL5201820 0.76 ROCK1 (0.57) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL3634171 0.76 ROCK1 (0.57) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL8262308 0.75 HRH3 (0.43) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL19805885 0.75 ROCK1 (0.54) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL3158901 0.74 CHRNB2 (0.55) ROCK1ROCK2PRKXPRKCEPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2025-01-30 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 (3 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 ROCK1 2464/4885ROCK2 1862/4885PRKX 2482/4885
US-11566020-B1 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 ROCK1 2464/4885ROCK2 1862/4885PRKX 2482/4885
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 ROCK1 2464/4885ROCK2 1862/4885PRKX 2482/4885

“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.