Sugi Predict

Sugi Predict / Compounds / SCHEMBL367606

SCHEMBL367606

SCHEMBL367606

CCOC(=O)C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.62
▸ NUDT1 P36639 1/20 0.51
▸ ADORA2A P29274 1/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.44
▸ CCNE1 P24864 5/20 0.44
▸ CDK2 P24941 5/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL7956049 0.86 MAP2K1 (0.74) MAP2K1NUDT1ADORA2AMTNR1ACNR2
SCHEMBL1940550 0.86 MAP2K1 (0.73) MAP2K1ADORA2ACYP2D6CYP2C19MTNR1A
SCHEMBL13895157 0.81 MAP2K1 (0.52) MAP2K1NUDT1ADORA2ACYP2D6CYP2C19
SCHEMBL20757829 0.81 MAP2K1 (0.52) MAP2K1NUDT1ADORA2ACYP2D6CYP2C19
SCHEMBL1665308 0.80 MEN1 (0.67) MAP2K1NUDT1ADORA2ACYP2C19MAPT
SCHEMBL13325426 0.80 MAP2K1 (0.68) MAP2K1ADORA2ACYP2D6CYP2C19MTNR1A
SCHEMBL12729266 0.79 MAP2K1 (0.66) MAP2K1ADORA2AMTNR1ACNR2GPR84
SCHEMBL1993768 0.78 CYP2C19 (0.43) MAP2K1CYP2D6CYP2C19MAPTCYP1A2
SCHEMBL1474975 0.78 MAP2K1 (0.65) MAP2K1ADORA2ACYP2D6CYP2C19MTNR1A
SCHEMBL30368631 0.77 MAP2K1 (0.64) MAP2K1ADORA2ACYP2D6CYP2C19MTNR1A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 — — EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 — — US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 — — US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 — — US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 — — EP disclosed
EP-1819697-B1 3-(INDOLYL)-4-ARYLMALEIMIDE DERIVATIVES AND THEIR USE AS ANGIOGENESIS INHIBITORS UNIV MAINZ JOHANNES GUTENBERG (DE) 2012-08-01 — — EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
US-8008320-B2 3-(indolyl)-4-arylmaleimide derivatives and their use as angiogenesis inhibitors Johannes Gutenberg-Universitatis (DE) 2011-08-30 — — US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 — — US disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 — — EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 — — EP disclosed
EP-1819697-A1 3-(INDOLYL)-4-ARYLMALEIMIDE DERIVATIVES AND THEIR USE AS ANGIOGENESIS INHIBITORS Johannes Gutenberg-Universität Mainz (DE) 2007-08-22 — — EP disclosed
US-7125878-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2006-10-24 — — US disclosed
US-20060205762-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 — — US disclosed
US-20060205763-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 — — US disclosed
WO-2006061212-A1 3-(INDOLYL)-4-ARYLMALEIMIDE DERIVATIVES AND THEIR USE AS ANGIOGENESIS INHIBITORS Johannes Gutenberg-Universität Mainz (DE) 2006-06-15 — — WO disclosed
EP-1506192-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 — — EP disclosed
US-20040006095-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMAECUTICA, NV (BE) 2004-01-08 — — US disclosed
WO-2003095452-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-20 — — 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 (5 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-20060205762-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 MAP2K1 389/4885NUDT1 2563/4885ADORA2A 4370/4885
US-20040006095-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 MAP2K1 389/4885NUDT1 2563/4885ADORA2A 4370/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAP2K1 4292/4885NUDT1 2183/4885ADORA2A 4130/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAP2K1 4292/4885NUDT1 2183/4885ADORA2A 4130/4885
US-20060205763-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 MAP2K1 389/4885NUDT1 2563/4885ADORA2A 4370/4885

“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.