SCHEMBL16794609

SCHEMBL16794609

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC4(C)COC4)cnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PDE1B Q01064 5/20 0.38
▸ POLB P06746 2/20 0.37
▸ CACNA1H O95180 4/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CLK1 P49759 2/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL16812480 0.86 JAK1 (0.38) PDE1BNR3C1KCNH2CLK1TNKS
SCHEMBL16812493 0.86 NR3C1 (0.39) PDE1BCACNA1HNR3C1CLK1MEN1
SCHEMBL16812352 0.84 PDE1B (0.38) PDE1BPOLBNR3C1MEN1KMT2A
SCHEMBL16812354 0.83 CDK5 (0.39) NPC1RAB9APDE1BCACNA1HNR3C1
SCHEMBL16794647 0.83 PDE1B (0.37) PDE1BNR3C1MCHR1MEN1KMT2A
SCHEMBL18161034 0.83 PDE1B (0.41) PDE1BNR3C1MEN1KMT2AALDH1A1
SCHEMBL16812355 0.82 ALDH1A1 (0.39) PDE1BNR3C1MEN1KMT2AALDH1A1
SCHEMBL16794653 0.82 CNR2 (0.41) POLBMCHR1ALDH1A1
SCHEMBL16794714 0.81 TYK2 (0.49) PDE1BNR3C1CLK1MEN1KMT2A
SCHEMBL16794695 0.81 TYK2 (0.44) PDE1BNR3C1CLK1MEN1KMT2A

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 NPC1 4877/4885RAB9A 2405/4885PDE1B 1789/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 NPC1 4873/4885RAB9A 2273/4885PDE1B 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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