SCHEMBL1154904

SCHEMBL1154904

Oc1nccc2cncn12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.37
CYP11B2 P19099 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGIS Q16647 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL19131094 0.71 TBXAS1 (0.34) TBXAS1CYP11B2IDO1
SCHEMBL1155387 0.68
SCHEMBL1155337 0.68 KDM4E (0.37)
SCHEMBL1155417 0.68 TBXAS1 (0.31) TBXAS1
SCHEMBL14341759 0.67 IDO1 (0.33) TBXAS1CYP11B2IDO1
SCHEMBL24983728 0.66 TBXAS1 (0.37) TBXAS1IDO1
SCHEMBL5489162 0.64 SSTR4 (0.36)
SCHEMBL12920668 0.62 SSTR4 (0.37) TBXAS1CYP11B2
SCHEMBL18137618 0.62 IDO1 (0.41) TBXAS1PTGS1PTGS2PTGISIDO1
SCHEMBL1389219 0.62 ADORA3 (0.37)

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-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 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-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS IGF1R, IGFBP3, INSR TBXAS1 1332/4885CYP11B2 429/4885PTGS1 2316/4885

“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.