SCHEMBL13062532

SCHEMBL13062532

O=C(Nc1ccnc(Cl)c1)c1cnc2c(NC3CC3)cc(N[C@H]3CC[C@H](NC(=O)C4CCCC4)CC3)nn12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.53
▸ PDE4D Q08499 2/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ ACKR3 P25106 2/20 0.41
▸ TTK P33981 3/20 0.41
▸ JAK1 P23458 1/20 0.40

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
SCHEMBL3770885 0.98 TYK2 (0.51) TYK2PDE4DJAK2ACKR3TTK
SCHEMBL3769323 0.98 TYK2 (0.51) TYK2PDE4DJAK2ACKR3TTK
SCHEMBL3767149 0.97 TYK2 (0.50) TYK2PDE4DJAK2ACKR3TTK
SCHEMBL3767145 0.97 TYK2 (0.50) TYK2PDE4DJAK2ACKR3TTK
SCHEMBL3774836 0.94 TYK2 (0.47) TYK2PDE4DACKR3TTK
SCHEMBL3774835 0.94 TYK2 (0.47) TYK2PDE4DACKR3TTK
SCHEMBL3775141 0.92 TYK2 (0.47) TYK2PDE4DACKR3TTK
SCHEMBL3775145 0.92 TYK2 (0.47) TYK2PDE4DACKR3TTK
SCHEMBL3781562 0.92 TYK2 (0.57) TYK2PDE4DTTK
SCHEMBL3781559 0.92 TYK2 (0.57) 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 2 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 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 1378/4885JAK2 122/4885

“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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