SCHEMBL4812650

SCHEMBL4812650

COc1ccc(N)c(-c2cnco2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 9/20 0.56
▸ IMPDH1 P20839 2/20 0.56
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ AAK1 Q2M2I8 4/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PTGDR Q13258 1/20 0.39
▸ LTA4H P09960 1/20 0.39

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
SCHEMBL16370951 0.76 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL4814398 0.76 AAK1 (0.51) IMPDH2IMPDH1ALDH1A1AAK1
SCHEMBL25033577 0.76 GAA (0.53) IMPDH2IMPDH1CYP2D6CYP2C9CYP11B1
SCHEMBL11004268 0.75 ALDH1A1 (0.61) CYP3A4CYP2D6CYP1A2CYP2C9CYP11B1
SCHEMBL30206740 0.75 ALDH1A1 (0.61) CYP3A4CYP2D6CYP1A2CYP2C9CYP11B1
SCHEMBL30206743 0.75 ALDH1A1 (0.61) CYP3A4CYP2D6CYP1A2CYP2C9CYP11B1
SCHEMBL4895178 0.74 ALDH1A1 (0.51) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL12125145 0.74 IMPDH2 (0.55) IMPDH2IMPDH1CYP3A4CYP2D6AAK1
Hydrochloric Acid SCHEMBL30206678 0.73 ALDH1A1 (0.65) CYP3A4CYP2D6CYP1A2CYP2C9CYP11B1
SCHEMBL472471 0.73 LMNA (0.63) IMPDH2IMPDH1CYP3A4CYP2D6CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 — — US disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 — — EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 — — WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 — — 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 (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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 IMPDH2 1292/4885IMPDH1 323/4885CYP3A4 1381/4885

“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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