Sugi Predict

Sugi Predict / Compounds / SCHEMBL4768472

SCHEMBL4768472

SCHEMBL4768472

CC(C)(C)NC(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 11/20 0.52
▸ JUN P05412 5/20 0.52
▸ NFKB2 Q00653 5/20 0.52
▸ RELA Q04206 5/20 0.52
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ XPO1 O14980 4/20 0.41
▸ ATF1 P18846 7/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ LRRK2 Q5S007 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
SCHEMBL13065416 0.85 SYK (0.48) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4768060 0.83 LRRK2 (0.46) NFKB1JUNNFKB2RELAPOLB
SCHEMBL5723255 0.81 NFKB1 (0.44) NFKB1JUNNFKB2RELAPOLB
SCHEMBL14395963 0.81 POLB (0.41) NFKB1JUNNFKB2RELAPOLB
SCHEMBL10167973 0.81 NFKB1 (0.52) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4774497 0.79 NFKB1 (0.40) NFKB1JUNNFKB2RELAPOLB
SCHEMBL5723638 0.79 NFKB1 (0.39) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4768083 0.79 STK17B (0.40) NFKB1JUNNFKB2RELAPOLB
SCHEMBL5570021 0.79 NFKB1 (0.54) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4765263 0.78 NFKB1 (0.39) NFKB1JUNNFKB2RELAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 — — US disclosed
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 — — EP disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 — — US disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 — — EP disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 — — WO disclosed
EP-1794134-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES AS CELL CYCLE KINASE INHIBITORS OR RECEPTOR TYROSINE KINASE INHIBITORS, PRODUCTION OF SAID SUBSTANCES AND USE OF THE LATTER AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 — — EP disclosed
EP-1406876-B1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-27 — — EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 — — US disclosed
EP-1530574-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-18 — — EP disclosed
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 — — US disclosed
US-20040198757-A1 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors ASTRAZENECA AB (SE) 2004-10-07 — — US disclosed
EP-1406876-A1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-14 — — EP disclosed
WO-2004026881-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-01 — — WO disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 — — US disclosed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 — — EP disclosed
WO-2002096887-A1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2002-12-05 — — WO disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 — — 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 (4 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-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases CCNK, CDK2, CDK1 NFKB1 432/4885JUN 1729/4885NFKB2 717/4885
US-20040198757-A1 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors CCNT1, CCNI, CDK2 NFKB1 1733/4885JUN 2225/4885NFKB2 1960/4885
US-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 NFKB1 2034/4885JUN 2823/4885NFKB2 2504/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR NFKB1 2954/4885JUN 4140/4885NFKB2 3838/4885

“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.