SCHEMBL23758353

SCHEMBL23758353

CC(C)c1cncc(CC(C)c2ccc(Cl)nc2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ PANK3 Q9H999 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18763535 0.84 LMNA (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19831132 0.83 GPR55 (0.35) NPC1RAB9AESR1ESR2SMN1; SMN2
SCHEMBL24867544 0.83 CYP3A4 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19998188 0.79 ALDH1A1 (0.37) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24867259 0.79 MEN1 (0.34) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL21076611 0.77 ESR1 (0.37) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22895111 0.77 NR3C2 (0.41) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL1090665 0.74 SMN1; SMN2 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20927101 0.73 CYP3A4 (0.33) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12120613 0.72 GABRA1 (0.33) RAB9AESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 — — US disclosed
US-11091464-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2021-08-17 — — 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 (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-11091464-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A CYP3A4 1984/4885CYP2D6 211/4885SLC6A2 4594/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A CYP3A4 1984/4885CYP2D6 211/4885SLC6A2 4594/4885

“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.

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