SCHEMBL4764083

SCHEMBL4764083

CC(C)(C)NC(=O)c1cnc(Cl)nc1NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
AXL P30530 3/20 0.47
TYRO3 Q06418 6/20 0.44
MERTK Q12866 6/20 0.44
FLT3 P36888 5/20 0.44
GAS6 Q14393 5/20 0.44
MAPK8 P45983 3/20 0.43
MAPK9 P45984 2/20 0.43
SYK P43405 3/20 0.42
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CHEK1 O14757 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41

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
SCHEMBL4763976 0.94 MAPK8 (0.44) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL20299364 0.82 KMT2A (0.61) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL31324932 0.82 KMT2A (0.57) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL31360739 0.82 KMT2A (0.57) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL29526968 0.81 MAPK8 (0.61) KMT2AMAPK8SYK
SCHEMBL13518145 0.80 KMT2A (0.58) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL28533353 0.80 KMT2A (0.55) KMT2AAXLMERTKMAPK8MAPK9
SCHEMBL20609719 0.80 TYRO3 (0.64) KMT2AAXLTYRO3MERTKFLT3
SCHEMBL13518131 0.79 KMT2A (0.61) KMT2AAXLTYRO3MERTKFLT3
Fluoride SCHEMBL13518132 0.79 KMT2A (0.57) KMT2AAXLTYRO3MERTKFLT3

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 11 patents. 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
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-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 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
US-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
WO-2006034872-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) 2006-04-06 WO disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 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 (2 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-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents CDK2, KDR, CDK4 KMT2A 1366/4885AXL 143/4885TYRO3 135/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR KMT2A 4091/4885AXL 326/4885TYRO3 509/4885

“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.