SCHEMBL4036319

SCHEMBL4036319

CC(C)(C)OC(=O)Nc1cc(Cl)ncc1N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.43
ATR Q13535 1/20 0.42
MAP4K4 O95819 1/20 0.40
AAK1 Q2M2I8 6/20 0.38
METAP1 P53582 1/20 0.38
TRPA1 O75762 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL12584018 0.88 MAPKAPK2 (0.43) MAPKAPK2ATRMAP4K4AAK1METAP1
SCHEMBL15584205 0.85 ATR (0.42) MAPKAPK2ATRMAP4K4AAK1METAP1
SCHEMBL21262226 0.85 ATR (0.44) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL26191737 0.82 STK17B (0.43) MAPKAPK2AAK1TRPA1
SCHEMBL24157078 0.82 ATR (0.42) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL3344049 0.82 AAK1 (0.45) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL18369794 0.82 ATR (0.42) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL31493121 0.82 ATR (0.42) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL16879643 0.82 ATR (0.44) MAPKAPK2ATRAAK1METAP1TRPA1
SCHEMBL30482462 0.81 STK17B (0.47) MAPKAPK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
WO-2004078714-A2 PROCESSES FOR PREPARING IMIDAZOQUINOXALINONES, HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINONES, IMIDAZOUINOXALINES AND HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-16 WO disclosed
US-20040180898-A1 Processes for preparing imidazoquinoxalinones, heterocyclic-substituted imidazopyrazinones, imidazoquinoxalines and heterocyclic-substituted imidazopyrazines BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP disclosed
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 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 (1 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-20040180898-A1 Processes for preparing imidazoquinoxalinones, heterocyclic-substituted imidazopyrazinones, imidazoquinoxalines and heterocyclic-substituted imidazopyrazines NISCH, PDXK, IPO4 MAPKAPK2 337/4885ATR 399/4885MAP4K4 16/4885

“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.