SCHEMBL16812398

SCHEMBL16812398

CCn1cc(Cl)cc(Nc2cc(N(C)Cc3ccc(OC)cc3)c3ncc(C(=O)NC4CC4)n3n2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.46
▸ PDE4D Q08499 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL16794699 0.89 TYK2 (0.41) TYK2PDE4D
SCHEMBL16794711 0.87 TYK2 (0.39) TYK2
SCHEMBL20049687 0.84 TYK2 (0.43) TYK2PDE4D
SCHEMBL20049684 0.83 TYK2 (0.43) TYK2PDE4DBRD4CNR2CNR1
SCHEMBL20049473 0.83 TYK2 (0.43) TYK2PDE4DBRD4CNR2CNR1
SCHEMBL20049469 0.82 TYK2 (0.46) TYK2PDE4D
SCHEMBL20049765 0.82 TYK2 (0.46) TYK2PDE4D
SCHEMBL20049749 0.82 TYK2 (0.45) TYK2PDE4D
SCHEMBL20049750 0.82 TYK2 (0.45) TYK2PDE4D
SCHEMBL16794653 0.82 CNR2 (0.41) TYK2PDE4DBRD4CNR2CNR1

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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — WO 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 TYK2 1/4885PDE4D 1717/4885BRD4 444/4885

“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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