SCHEMBL993784

SCHEMBL993784

Clc1ncc(Cl)c(NC2CCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
AXL P30530 1/20 0.51
ULK1 O75385 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
CTSC P53634 1/20 0.39
SYK P43405 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HPGDS O60760 1/20 0.38
LATS1 O95835 1/20 0.38
TP53 P04637 1/20 0.38
MAPK3 P27361 1/20 0.38
PDE10A Q9Y233 1/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1934159 0.96 KMT2A (0.69) KMT2AAXLULK1ADORA3ADORA2A
SCHEMBL1937546 0.95 KMT2A (0.71) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL844926 0.93 KMT2A (0.58) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL17933694 0.86 KMT2A (0.50) KMT2AAXLULK1ADORA3ADORA2A
SCHEMBL17933696 0.86 KMT2A (0.50) KMT2AAXLULK1ADORA3ADORA2A
SCHEMBL17196933 0.85 KMT2A (0.51) KMT2AAXLCTSCHSD17B10
SCHEMBL17196849 0.83 KMT2A (0.50) KMT2AMAPK3
SCHEMBL1934273 0.83 KMT2A (0.91) KMT2AAXLULK1ADORA3ADORA2A
SCHEMBL586310 0.83 KMT2A (0.60) KMT2AAXLULK1ADORA3ADORA2A
SCHEMBL29608859 0.83 KMT2A (0.60) KMT2AAXLULK1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110237612-A1 Thienylamino pyrimidines for use as Fungicides BAYERCROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP disclosed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 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-20110237612-A1 Thienylamino pyrimidines for use as Fungicides TYMP, TYMS, TPMT KMT2A 2302/4885AXL 363/4885ULK1 2768/4885
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 KMT2A 1008/4885AXL 251/4885ULK1 1311/4885
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines POLL, H1-2, H1-0 KMT2A 668/4885AXL 870/4885ULK1 1759/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 KMT2A 2050/4885AXL 1831/4885ULK1 4375/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D KMT2A 1011/4885AXL 840/4885ULK1 1315/4885

“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.