SCHEMBL16794719

SCHEMBL16794719

COc1ccc(CCNc2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.44
▸ TYK2 P29597 7/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PDE1B Q01064 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
SCHEMBL18143582 0.96 MEN1 (0.42) TTKTYK2PDE4DMEN1KMT2A
SCHEMBL18143583 0.84 ADORA1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL16794653 0.81 CNR2 (0.41) TTKTYK2PDE4DMCHR1CNR2
SCHEMBL21185906 0.78 TYK2 (0.66) TYK2PDE4DBRD4
SCHEMBL16794701 0.78 YAP1 (0.41) TYK2MEN1KMT2AMCHR1CNR2
SCHEMBL16812491 0.78 YAP1 (0.43) MEN1KMT2ACNR1SMN1; SMN2
SCHEMBL16812356 0.77 YAP1 (0.40) MEN1KMT2AMCHR1CNR2CNR1
SCHEMBL16794684 0.75 TYK2 (0.62) TYK2
SCHEMBL16812485 0.74 HPGDS (0.41) TYK2MEN1KMT2AMCHR1CNR2
SCHEMBL16794647 0.74 PDE1B (0.37) MEN1KMT2AMCHR1CNR2CNR1

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-3080131-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-10-10 — — EP disclosed
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
EP-3080131-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2016-10-19 — — EP 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 TTK 190/4885TYK2 1/4885PDE4D 1717/4885

“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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