SCHEMBL23996103

SCHEMBL23996103

Cc1cc(C)c2ncc(C(=O)NCCC3CCC3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ TYK2 P29597 7/20 0.40
▸ PDE4D Q08499 4/20 0.40
▸ LDLR P01130 1/20 0.39
▸ CHRM4 P08173 6/20 0.37
▸ PLAT P00750 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL23996107 0.95 TYK2 (0.41) KITMAPK14LCKSRCTYK2
SCHEMBL23996105 0.94 KIT (0.42) KITMAPK14LCKSRCTYK2
SCHEMBL23996092 0.89 KIT (0.39) KITMAPK14LCKSRCTYK2
SCHEMBL23996109 0.89 TYK2 (0.40) KITMAPK14TYK2PDE4DL3MBTL1
SCHEMBL23996108 0.88 TYK2 (0.40) KITMAPK14TYK2PDE4DL3MBTL1
SCHEMBL23996104 0.84 TYK2 (0.40) KITMAPK14LCKSRCTYK2
SCHEMBL23996102 0.84 TYK2 (0.41) MAPK14TYK2PDE4DNPC1RAB9A
SCHEMBL23996097 0.83 KIT (0.41) KITMAPK14LCKSRCTYK2
SCHEMBL19578154 0.79 TYK2 (0.37) TYK2PDE4D
SCHEMBL23996101 0.78 TYK2 (0.39) KITMAPK14TYK2PDE4DCHRM4

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 KIT 3234/4885MAPK14 3760/4885LCK 3274/4885

“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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