SCHEMBL30129641

SCHEMBL30129641

CC(C)(C)OC(=O)NCCCCNc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ P2RY14 Q15391 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BRD4 O60885 11/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11778118 0.73 TDP1 (0.54) BRD4CA12CA1CA2CA9
SCHEMBL17155339 0.73 AAK1 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL17155025 0.72 STK17B (0.55) BRD4CA12CA1CA2CA9
SCHEMBL31080085 0.72 STK17B (0.55) BRD4CA12CA1CA2CA9
SCHEMBL28350988 0.71 BCHE (0.47) CACNA1HCACNA1BCACNA1CBRD4PDE3B
SCHEMBL3451508 0.69 RXRA (0.47) CACNA1HCACNA1BCACNA1CCYP1A2CA12
SCHEMBL30987278 0.69 CA12 (0.41) P2RY14BRD4CA12CA1CA2
SCHEMBL31336469 0.68 MAPT (0.44) CYP1A2BRD4PDE3BPDE3ATDP1
SCHEMBL27224473 0.68 PDK2 (0.38) P2RY14CA12CA1CA2CA9
SCHEMBL24176682 0.67 PTPN11 (0.46) CACNA1HCACNA1BCACNA1C

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-20230107277-A1 SUBSTITUTED PYRIDAZINE COMPOUND NICO THERAPEUTICS, INC. 2023-04-06 — — US disclosed
EP-4129986-A1 SUBSTITUTED PYRIDAZINE COMPOUND Astellas Pharma Inc. (JP) 2023-02-08 — — EP 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 (1 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-20230107277-A1 SUBSTITUTED PYRIDAZINE COMPOUND NLRP3, NLRP1, PYCARD CACNA1H 3629/4885CACNA1B 2290/4885CACNA1C 2645/4885

“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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