SCHEMBL16794720

SCHEMBL16794720

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4CCOC4)cnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PDE1B Q01064 9/20 0.42
▸ PDE1A P54750 3/20 0.40
▸ PDE1C Q14123 3/20 0.40
▸ NTRK1 P04629 3/20 0.38
▸ F10 P00742 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ F5 P12259 1/20 0.36
▸ BRSK2 Q8IWQ3 1/20 0.36

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
SCHEMBL16812489 1.00 HPGDS (0.45) HPGDSKMT2APDE1BPDE1APDE1C
SCHEMBL16794721 1.00 HPGDS (0.45) HPGDSKMT2APDE1BPDE1APDE1C
SCHEMBL16794647 0.94 PDE1B (0.37) HPGDSKMT2APDE1BPDE1CF10
SCHEMBL16794653 0.91 CNR2 (0.41) NTRK1F10BRD4
SCHEMBL16812491 0.90 YAP1 (0.43) HPGDSKMT2AF10
SCHEMBL16794701 0.90 YAP1 (0.41) HPGDSKMT2APDE1BF10
SCHEMBL16812485 0.87 HPGDS (0.41) HPGDSKMT2APDE1BF10
SCHEMBL31161333 0.84 SSTR3 (0.35) KMT2APDE1BNTRK1F10
SCHEMBL31161788 0.84 TYK2 (0.37) PDE1BF10
SCHEMBL16812488 0.84 TYK2 (0.40) KMT2APDE1BF10

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 HPGDS 2012/4885KMT2A 1271/4885PDE1B 1789/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 HPGDS 2119/4885KMT2A 1273/4885PDE1B 1989/4885

“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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