SCHEMBL2837480

SCHEMBL2837480

CC(C)Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.37
ACLY P53396 1/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
MET P08581 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
JAK3 P52333 1/20 0.31
NTRK2 Q16620 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31

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
SCHEMBL13385418 0.83 ACLY (0.38) ACLYMAPK1HTTDHODHJAK2
SCHEMBL13385419 0.81 ACLY (0.37) ACLYMAPK1HTTJAK2TYK2
SCHEMBL2837940 0.75 CXCR2 (0.36) L3MBTL1DHODHJAK2
SCHEMBL4837619 0.74 HTT (0.37) MAPTMAPK1HTTNPSR1L3MBTL1
SCHEMBL17000504 0.74 ADORA2A (0.33) ADORA2A
SCHEMBL4019944 0.74 IDH1 (0.36) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL2833335 0.74 IDH1 (0.36) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL2833339 0.74 IDH1 (0.36) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL13385424 0.74 ACLY (0.38) ACLYMAPK1HTTJAK2TYK2
SCHEMBL13385442 0.74 ACLY (0.36) ACLYJAK2TYK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
CN-100488952-C 5-phenyl pyridine, its preparation method and intermediate product and uses in controlling harmful fungus BASF AG (DE) 2009-05-20 CN disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
CN-1525960-A Lorenz Gisela �����ɷ� 2004-09-01 CN disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 US disclosed
EP-1373222-A2 5-PHENYLPYRIMIDINE, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2002074753-A2 5-PHENYLPYRIMIDINE, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 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 (1 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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT ADORA2A 780/4885ACLY 2487/4885MAPT 4342/4885

“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.