SCHEMBL1937672

SCHEMBL1937672

CC(C)Nc1nc(Nc2cccc(C=O)c2)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
LRRK2 Q5S007 1/20 0.48
EGFR P00533 4/20 0.47
ERBB2 P04626 1/20 0.47
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 0.47
CTSC P53634 6/20 0.46
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
ALK Q9UM73 5/20 0.43
MET P08581 3/20 0.43
BRD4 O60885 1/20 0.43
SYK P43405 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL1937120 0.86 JAK3 (0.47) JAK2LRRK2EGFRERBB2ERBB3
SCHEMBL1937791 0.82 CTSC (0.53) JAK2LRRK2CTSCJAK1JAK3
SCHEMBL2516943 0.81 CDK1 (0.51) JAK2LRRK2EGFRCTSCJAK1
SCHEMBL1936618 0.81 NTRK1 (0.47) JAK2LRRK2CTSCJAK1JAK3
SCHEMBL1937742 0.81 CTSC (0.49) JAK2LRRK2EGFRCTSCJAK1
SCHEMBL1936527 0.80 JAK2 (0.44) JAK2LRRK2EGFRCTSCJAK1
SCHEMBL1937794 0.79 CTSC (0.51) CTSCJAK3
SCHEMBL1935532 0.78 PRKCQ (0.54) LRRK2CTSCJAK3
SCHEMBL3259927 0.76 JAK2 (0.45) JAK2LRRK2EGFRERBB2ERBB3
SCHEMBL13622515 0.76 CTSC (0.58) JAK2LRRK2EGFRCTSCJAK1

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 3 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
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines POLL, H1-2, H1-0 JAK2 384/4885LRRK2 1741/4885EGFR 2879/4885

“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.