SCHEMBL1937339

SCHEMBL1937339

Clc1ncc(Br)c(NCC2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
IGF1R P08069 1/20 0.38
TNK2 Q07912 1/20 0.37
PDE10A Q9Y233 4/20 0.36
PRKCQ Q04759 3/20 0.36
PDE5A O76074 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL4071077 0.94 KMT2A (0.42) PTGER4KMT2AMEN1ADORA2AADORA3
SCHEMBL19763693 0.93 ADORA3 (0.41) PTGER4KMT2AMEN1ADORA2AADORA3
SCHEMBL20866337 0.93 ADORA3 (0.41) PTGER4KMT2AMEN1ADORA2AADORA3
SCHEMBL13649042 0.92 KMT2A (0.44) PTGER4KMT2AMEN1ADORA2AADORA3
SCHEMBL17764574 0.90 CCNK (0.41) KMT2AMEN1TNK2ALDH1A1
SCHEMBL1936606 0.83 ADORA3 (0.43) PTGER4KMT2AADORA2AADORA3ADORA1
SCHEMBL19675913 0.81 USP1 (0.44) KMT2AADORA2AADORA3ADORA1PRKCQ
SCHEMBL15585225 0.81 ADORA3 (0.39) PTGER4KMT2AADORA2AADORA3ADORA1
SCHEMBL13550224 0.81 ALDH1A1 (0.56) KMT2AADORA2AADORA3ADORA1PRKCQ
SCHEMBL13671985 0.80 STK17B (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
CN-101621927-A Diaminopyrimidines as fungicides BAYER CROPSCIENCE AG 2010-01-06 CN disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
EP-1483260-A1 CDK INHIBITING 2-HETEROARYL PYRIMIDINE, THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Schering Aktiengesellschaft (DE) 2004-12-08 EP disclosed
US-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2004-04-01 US disclosed
WO-2003076437-A1 CDK INHIBITING 2-HETEROARYL PYRIMIDINE, THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-18 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-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents CDK2, CDK6, CDKL2 PTGER4 2601/4885KMT2A 634/4885MEN1 3196/4885
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 PTGER4 4604/4885KMT2A 2345/4885MEN1 2036/4885
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 PTGER4 2614/4885KMT2A 873/4885MEN1 3298/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D PTGER4 2977/4885KMT2A 1011/4885MEN1 2221/4885

“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.