SCHEMBL12862500

SCHEMBL12862500

O=C1C/C(=C\c2ccccn2)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.59
▸ IKBKB O14920 3/20 0.59
▸ RAF1 P04049 3/20 0.59
▸ RPS6KB1 P23443 3/20 0.59
▸ AKT1 P31749 3/20 0.59
▸ AKT2 P31751 3/20 0.59
▸ KDR P35968 3/20 0.59
▸ MAPKAPK2 P49137 3/20 0.59
▸ PRKAG1 P54619 3/20 0.59
▸ MAP2K1 Q02750 3/20 0.59
▸ PRKAA1 Q13131 3/20 0.59
▸ NEK1 Q96PY6 3/20 0.59
▸ PRKAB1 Q9Y478 3/20 0.59
▸ PRDX1 Q06830 1/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MEN1 O00255 4/20 0.51

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
SCHEMBL21067541 0.78 MAPK1 (0.56) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL1247436 0.77 MTOR (0.64) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL1247438 0.77 MTOR (0.64) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL8173602 0.75 MTOR (0.65) GSK3BMTORRPTORMLST8
SCHEMBL8173600 0.75 MTOR (0.65) GSK3BMTORRPTORMLST8
SCHEMBL21460535 0.75 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL21460534 0.75 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL29794510 0.75 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL8106620 0.75 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL15281015 0.74 PIM1 (0.55) MAPK1AKT1AKT2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 — — 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-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN MAPK1 246/4885IKBKB 1462/4885RAF1 498/4885

“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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