SCHEMBL993953

SCHEMBL993953

Clc1cnc(Nc2ccccc2)nc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.66
LRRK2 Q5S007 1/20 0.66
AURKA O14965 4/20 0.54
ALK Q9UM73 3/20 0.54
CDK19 Q9BWU1 1/20 0.54
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
NFKB1 P19838 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CDK2 P24941 4/20 0.53
IGF1R P08069 2/20 0.53
CDK5 Q00535 2/20 0.53
PDPK1 O15530 2/20 0.53
CDK1 P06493 2/20 0.53
LYN P07948 2/20 0.53
FGFR1 P11362 2/20 0.53
FGFR3 P22607 2/20 0.53
RPS6KB1 P23443 2/20 0.53
MARK3 P27448 2/20 0.53

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
SCHEMBL29816634 0.84 JAK2 (0.79) JAK2LRRK2AURKAALKCDK19
SCHEMBL15391316 0.84 JAK2 (0.79) JAK2LRRK2AURKAALKCDK19
SCHEMBL10187875 0.82 JAK2 (0.58) JAK2LRRK2AURKAALKCDK19
SCHEMBL3125757 0.82 IGF1R (0.68) JAK2LRRK2AURKAALKCDK19
SCHEMBL28223543 0.82 JAK2 (0.62) JAK2LRRK2AURKAALKCDK19
SCHEMBL1916571 0.78 GSK3A (0.56) JAK2LRRK2AURKAMAPTMAPK1
SCHEMBL1182988 0.78 SYK (0.58) JAK2LRRK2AURKAMEN1KMT2A
SCHEMBL1938244 0.78 KDR (0.67) JAK2LRRK2AURKAMAPTMAPK1
SCHEMBL29695708 0.78 JAK2 (0.61) JAK2LRRK2AURKAALKCDK19
SCHEMBL4229561 0.78 ATM (0.65) JAK2LRRK2AURKAALKCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 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 (3 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 JAK2 1463/4885LRRK2 3855/4885AURKA 2466/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C JAK2 2245/4885LRRK2 3965/4885AURKA 1564/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 JAK2 1413/4885LRRK2 2614/4885AURKA 2412/4885

“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.