SCHEMBL23996104

SCHEMBL23996104

Cc1cc(Cl)nn2c(C(=O)NCCC3CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ CHRM4 P08173 8/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ LCK P06239 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL23996092 0.96 KIT (0.39) TYK2PDE4DCHRM4MAOAMAOB
SCHEMBL23996101 0.94 TYK2 (0.39) TYK2PDE4DCHRM4KITMAPK14
SCHEMBL23996106 0.93 TYK2 (0.39) TYK2PDE4DCHRM4KITMAPK14
SCHEMBL23996097 0.89 KIT (0.41) TYK2PDE4DCHRM4KITMAPK14
SCHEMBL23996107 0.89 TYK2 (0.41) TYK2PDE4DCHRM4KITMAPK14
SCHEMBL23996095 0.84 RIPK1 (0.41) TYK2PDE4DKITMAPK14
SCHEMBL23996103 0.84 KIT (0.41) TYK2PDE4DCHRM4KITMAPK14
SCHEMBL23996109 0.82 TYK2 (0.40) TYK2PDE4DKITMAPK14
SCHEMBL23996108 0.81 TYK2 (0.40) TYK2PDE4DKITMAPK14
SCHEMBL19578155 0.77 TYK2 (0.36) TYK2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-11-09 — — 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 (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-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders GBA1, GBA2, GALC TYK2 873/4885PDE4D 482/4885CHRM4 1589/4885

“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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