SCHEMBL3781562

SCHEMBL3781562

O=C(NC1CCCC1)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(Cl)c4)n3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.57
▸ PDE4D Q08499 2/20 0.44
▸ TTK P33981 4/20 0.43
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ MET P08581 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ STAT3 P40763 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
SCHEMBL3781559 1.00 TYK2 (0.57) TYK2PDE4DTTKEGFRERBB2
SCHEMBL3781415 0.97 TYK2 (0.52) TYK2PDE4DTTKSTAT3
SCHEMBL3781418 0.97 TYK2 (0.52) TYK2PDE4DTTKSTAT3
SCHEMBL3777442 0.93 TYK2 (0.48) TYK2PDE4DTTK
SCHEMBL3777441 0.93 TYK2 (0.48) TYK2PDE4DTTK
SCHEMBL14732024 0.92 TYK2 (0.47) TYK2PDE4DTTKSTAT3
SCHEMBL3813494 0.92 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3813501 0.92 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL13062539 0.92 TYK2 (0.47) TYK2PDE4DTTKSTAT3
SCHEMBL13062532 0.92 TYK2 (0.53) 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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