SCHEMBL3775508

SCHEMBL3775508

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.49
▸ PDE4D Q08499 2/20 0.42
▸ STAT3 P40763 1/20 0.38
▸ TTK P33981 3/20 0.38
▸ CCNT1 O60563 1/20 0.35

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
SCHEMBL3775517 1.00 TYK2 (0.49) TYK2PDE4DSTAT3TTKCCNT1
SCHEMBL14732055 0.91 TYK2 (0.47) TYK2PDE4DSTAT3TTKCCNT1
SCHEMBL14732056 0.91 TYK2 (0.47) TYK2PDE4DSTAT3TTKCCNT1
SCHEMBL14732101 0.91 TYK2 (0.50) TYK2PDE4DSTAT3TTK
SCHEMBL14732100 0.91 TYK2 (0.50) TYK2PDE4DSTAT3TTK
SCHEMBL3666162 0.90 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL3666163 0.90 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL13013401 0.90 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL14732044 0.89 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL14732045 0.89 TYK2 (0.49) TYK2PDE4DSTAT3TTK

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
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP 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 1378/4885STAT3 621/4885

“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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