SCHEMBL1935532

SCHEMBL1935532

O=Cc1cccc(Nc2ncc(Cl)c(NCC3CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.54
SOS1 Q07889 2/20 0.45
NTRK1 P04629 5/20 0.44
LRRK2 Q5S007 1/20 0.44
CNR2 P34972 2/20 0.43
CTSC P53634 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
JAK3 P52333 1/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL1937742 0.84 CTSC (0.49) LRRK2CTSCJAK3
SCHEMBL1937791 0.83 CTSC (0.53) NTRK1LRRK2CTSCJAK3
SCHEMBL1937794 0.82 CTSC (0.51) NTRK1CTSCSTK17BSTK17AJAK3
SCHEMBL2516943 0.82 CDK1 (0.51) NTRK1LRRK2CTSCSTK17BSTK17A
SCHEMBL1936618 0.82 NTRK1 (0.47) NTRK1LRRK2CTSCSTK17BSTK17A
SCHEMBL1936527 0.79 JAK2 (0.44) LRRK2CTSCJAK3
SCHEMBL1937672 0.78 JAK2 (0.48) LRRK2CTSCJAK3
SCHEMBL1937806 0.74 JAK3 (0.42) NTRK1LRRK2CTSCJAK3
SCHEMBL1937120 0.74 JAK3 (0.47) LRRK2CTSCJAK3
SCHEMBL13622515 0.73 CTSC (0.58) LRRK2CTSCJAK3

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 PRKCQ 2677/4885SOS1 2059/4885NTRK1 3528/4885

“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.