SCHEMBL2506963

SCHEMBL2506963

CC(O)c1cccc(Nc2ncc(Cl)c(Cl)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
LRRK2 Q5S007 1/20 0.44
CCNK O75909 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CTSC P53634 6/20 0.42
SYK P43405 3/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
MET P08581 3/20 0.40
ALK Q9UM73 3/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL1933968 0.84 SYK (0.51) CTSCSYKCDK1
SCHEMBL1935796 0.81 CTSC (0.48) JAK2LRRK2CCNKCCND3CDK9
SCHEMBL1935999 0.79 JAK2 (0.44) JAK2LRRK2CDK9CTSCSYK
SCHEMBL13252152 0.76 BRAF (0.49) MEN1KMT2ASYKCDK1
SCHEMBL993953 0.75 JAK2 (0.66) JAK2LRRK2MEN1KMT2ACTSC
SCHEMBL24842798 0.74 CTSC (0.63) JAK2LRRK2CCNKCCND3CDK9
SCHEMBL29816818 0.74 CTSC (0.63) JAK2LRRK2CCNKCCND3CDK9
SCHEMBL1936649 0.74 MET (0.40) JAK2LRRK2CCND3CTSCSYK
SCHEMBL1936655 0.74 SYK (0.44) JAK2LRRK2CTSCSYKJAK1
SCHEMBL1938235 0.73 SYK (0.50) CCNKCCND3CDK9CDK6CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
CN-102203070-A Alkoxy-and alkylthio-substituted anilinopyrimidines BAYER CROPSCIENCE AG 2011-09-28 CN 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 JAK2 1279/4885LRRK2 1592/4885CCNK 2396/4885

“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.