SCHEMBL23996089

SCHEMBL23996089

CCCCCO[C@H]1CC[C@H](NC(=O)c2cnc3c(C)cc(Cl)nn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MAPK14 Q16539 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
SCHEMBL19554989 0.99 TYK2 (0.42) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19554993 0.99 TYK2 (0.42) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19555169 0.91 TYK2 (0.44) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19555168 0.91 TYK2 (0.44) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19554996 0.84 NTRK1 (0.42) TYK2PDE4DEPHX2CNR2NTRK1
SCHEMBL19554999 0.84 NTRK1 (0.42) TYK2PDE4DEPHX2CNR2NTRK1
SCHEMBL19577955 0.83 NTRK1 (0.47) EPHX2CNR2NTRK1
SCHEMBL19577953 0.83 NTRK1 (0.41) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19705413 0.83 NTRK1 (0.41) TYK2PDE4DEPHX2CNR1CNR2
SCHEMBL19705456 0.76 TYK2 (0.45) TYK2PDE4DCNR1CNR2MAPK14

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 482/4885EPHX2 4113/4885

“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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