SCHEMBL20504497

SCHEMBL20504497

COc1ccc(CN(C)c2cc(Nc3cccc(-c4ccccc4)c3)nn3c(C#N)cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CDK1 P06493 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ ACP1 P24666 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 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
SCHEMBL22421811 0.83 TYK2 (0.46) TYK2PDE4DCDK1KDRACP1
SCHEMBL2359901 0.79 EGFR (0.36) PDE4DCSNK2A1MEN1NPC1RAB9A
SCHEMBL13644224 0.78 PDE1B (0.37) MEN1KMT2AADORA2AALDH1A1MAPT
SCHEMBL3313801 0.78 PDE1B (0.39) CYP19A1NPC1RAB9AADORA2AKDM4E
SCHEMBL2357215 0.75 ALDH1A1 (0.34) MEN1KMT2AEGFRCSF1RALDH1A1
SCHEMBL2359107 0.73 CNR1 (0.36) CDK1KDRCSNK2A1NPC1KDM4E
SCHEMBL2358585 0.72 PIK3CD (0.35) CSNK2A1ADORA2ADYRK1ACLK4
SCHEMBL26510925 0.72 TYK2 (0.37) TYK2PDE4DKDRNPC1RAB9A
SCHEMBL2357242 0.72 SMN1; SMN2 (0.33) MEN1NPC1RAB9AKMT2AADORA2A
Potassium SCHEMBL30392578 0.71 TYK2 (0.37) TYK2PDE4DKDRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 — — EP disclosed
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 — — EP disclosed
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 — — US disclosed
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-11-15 — — US disclosed
EP-3377496-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2018-09-26 — — EP 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885CDK1 712/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885CDK1 712/4885

“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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