SCHEMBL3783529

SCHEMBL3783529

C[C@@H](O)CC(=O)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(Cl)c4)n3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.46
▸ PDE4D Q08499 2/20 0.42
▸ TTK P33981 3/20 0.39
▸ STAT3 P40763 1/20 0.36
▸ ERN1 O75460 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
SCHEMBL3783527 1.00 TYK2 (0.46) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL3821439 0.95 TYK2 (0.47) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL3821438 0.95 TYK2 (0.47) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL3781487 0.93 TYK2 (0.47) TYK2PDE4DTTKSTAT3
SCHEMBL3781483 0.93 TYK2 (0.47) TYK2PDE4DTTKSTAT3
SCHEMBL13062262 0.91 TYK2 (0.49) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL14732040 0.91 TYK2 (0.49) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL3782377 0.90 TYK2 (0.47) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL3782369 0.90 TYK2 (0.47) TYK2PDE4DTTKSTAT3ERN1
SCHEMBL13062290 0.90 TYK2 (0.48) TYK2PDE4DTTK

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 289/4885PDE4D 1378/4885TTK 225/4885

“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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