SCHEMBL20557551

SCHEMBL20557551

CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cc(C)cc(C)c3)nn12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.45
▸ PDE4D Q08499 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE4B Q07343 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSPO P30536 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 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
SCHEMBL20505900 0.87 TYK2 (0.43) TYK2PDE4DNPSR1PDE4BGAA
SCHEMBL24263379 0.87 TYK2 (0.46) TYK2PDE4DNPSR1GAAIDO1
SCHEMBL20557221 0.87 MAPT (0.39) NPSR1PDE4BMEN1KMT2AGAA
SCHEMBL20504574 0.85 IDO1 (0.37) TYK2PDE4DNPSR1PDE4BMEN1
SCHEMBL20505904 0.85 TYK2 (0.42) TYK2PDE4DNPSR1PDE4BMEN1
SCHEMBL16794637 0.85 TYK2 (0.45) TYK2PDE4DNPSR1MEN1KMT2A
SCHEMBL24263290 0.85 GAA (0.37) TYK2PDE4DNPSR1PDE4BMEN1
SCHEMBL16794693 0.83 MAPT (0.42) PDE4DPDE4BMEN1KMT2AGAA
SCHEMBL16794711 0.82 TYK2 (0.39) TYK2NPSR1PDE4BMEN1KMT2A
SCHEMBL22469018 0.81 EGFR (0.39) TYK2PDE4DPDE4BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 — — US 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
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-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885PDE4D 4496/4885NPSR1 4287/4885
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885NPSR1 3655/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885NPSR1 3655/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885PDE4D 4496/4885NPSR1 4287/4885

“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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