SCHEMBL19003561

SCHEMBL19003561

CCCC(CC)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNE1 P15382 1/20 0.32
TSHR P16473 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL13632434 0.90 KCNA5 (0.35) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL26013540 0.89 BDKRB2 (0.33) CYP2D6TLR8TLR7
SCHEMBL12464828 0.87 TSHR (0.34) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL26546032 0.86 NR1I2 (0.41) KCNH2
SCHEMBL25017993 0.82 BDKRB2 (0.34) KCNA5KCNH2CYP2D6TLR8TLR7
SCHEMBL13259739 0.79 ESR1 (0.30) ESR1ESR2
SCHEMBL23709479 0.79 BDKRB2 (0.35) KCNA5KCNH2CYP2D6TLR8TLR7
SCHEMBL12293361 0.79 HDAC8 (0.31) TSHR
SCHEMBL26078434 0.79 LMNA (0.36) KCNH2
SCHEMBL21715637 0.77 OPRM1 (0.34) CYP2D6TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230339907-A1 PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-10-26 US disclosed
US-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 EP disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
CN-1039645-C 1,3-(substd. thio) acetoxy Melbamycinum derivatives, their preparation method, and use in agricultural chemistry SANKYO CO (JP) 1998-09-02 CN 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 KCNA5 3193/4885KCNH2 3883/4885CYP2D6 229/4885
US-20230339907-A1 PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES DHPS, PDXK, NQO1 KCNA5 257/4885KCNH2 348/4885CYP2D6 72/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 KCNA5 4213/4885KCNH2 4512/4885CYP2D6 1495/4885

“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.