SCHEMBL23996102

SCHEMBL23996102

Cc1cc(C)c2ncc(C(=O)NCC3CC3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ MAPK14 Q16539 6/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HTR4 Q13639 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK11 Q15759 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL23996107 0.88 TYK2 (0.41) TYK2PDE4DMAPK14IKBKB
SCHEMBL23996109 0.86 TYK2 (0.40) TYK2PDE4DMAPK14IKBKBSMN1; SMN2
SCHEMBL23996108 0.85 TYK2 (0.40) TYK2PDE4DMAPK14IKBKBSMN1; SMN2
SCHEMBL23996103 0.84 KIT (0.41) TYK2PDE4DMAPK14NPC1RAB9A
SCHEMBL23996095 0.84 RIPK1 (0.41) TYK2PDE4DMAPK14HTR4CNR1
SCHEMBL23996105 0.82 KIT (0.42) TYK2PDE4DMAPK14ALDH1A1KMT2A
SCHEMBL19578164 0.77 RIPK1 (0.41) TYK2PDE4DALDH1A1CYP2C9KDM4E
SCHEMBL19578152 0.77 TYK2 (0.38) TYK2PDE4DCACNA1H
SCHEMBL19689207 0.77 RIPK1 (0.41) TYK2PDE4DALDH1A1CYP2C9KDM4E
SCHEMBL23996104 0.77 TYK2 (0.40) TYK2PDE4DMAPK14

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 482/4885MAPK14 3760/4885

“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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