SCHEMBL16794672

SCHEMBL16794672

COc1ccc(CN2CCOc3c(Nc4cccn(-c5ccccn5)c4=O)nn4c(C(=O)O)cnc4c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.46
▸ POLB P06746 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ JAK1 P23458 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
SCHEMBL16812530 0.92 TYK2 (0.44) TYK2POLBTNIKPTK2ALDH1A1
SCHEMBL18161038 0.78 SMN1; SMN2 (0.38) TNIKALDH1A1KDM4E
SCHEMBL16812385 0.77 TYK2 (0.49) TYK2
SCHEMBL25398388 0.77 TYK2 (0.49) TYK2ALDH1A1
SCHEMBL31245725 0.76 TYK2 (0.55) TYK2JAK1
SCHEMBL24263286 0.76 TYK2 (0.55) TYK2JAK1
SCHEMBL26100166 0.75 TNIK (0.33) TYK2TNIK
SCHEMBL31245698 0.74 TYK2 (0.53) TYK2JAK1
SCHEMBL26100395 0.73 TNIK (0.35) TYK2TNIKLMNA
SCHEMBL30392635 0.73 TNIK (0.35) TYK2TNIKLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
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
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
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 (2 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 1/4885POLB 2551/4885TNIK 81/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 TYK2 1/4885POLB 2672/4885TNIK 84/4885

“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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