SCHEMBL3781429

SCHEMBL3781429

O=C(Nc1cccc(F)c1)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE4D Q08499 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NTRK1 P04629 1/20 0.39

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
SCHEMBL3781426 1.00 TYK2 (0.47) TYK2NPC1RAB9AKMT2AMEN1
SCHEMBL3779985 0.93 TYK2 (0.53) TYK2PDE4D
SCHEMBL3779987 0.93 TYK2 (0.53) TYK2PDE4D
SCHEMBL3777327 0.93 TYK2 (0.46) TYK2NPC1RAB9AKMT2AMEN1
SCHEMBL3777324 0.93 TYK2 (0.46) TYK2NPC1RAB9AKMT2AMEN1
SCHEMBL14732096 0.92 TYK2 (0.48) TYK2PDE4DEPHX2POLB
SCHEMBL13062625 0.92 TYK2 (0.48) TYK2PDE4DEPHX2POLB
SCHEMBL3781922 0.92 TYK2 (0.47) TYK2NPC1RAB9APDE4DEPHX2
SCHEMBL3781925 0.92 TYK2 (0.47) TYK2NPC1RAB9APDE4DEPHX2
SCHEMBL3786962 0.91 TYK2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US claimed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — 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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 TYK2 289/4885NPC1 2805/4885RAB9A 1484/4885

“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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