SCHEMBL3136804

SCHEMBL3136804

Clc1cnc(Nc2ccccc2)nc1NC1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.65
LRRK2 Q5S007 1/20 0.65
ALK Q9UM73 3/20 0.57
CDK19 Q9BWU1 1/20 0.57
SYK P43405 3/20 0.57
CTSC P53634 4/20 0.53
TYRO3 Q06418 1/20 0.52
AURKA O14965 4/20 0.51
BTK Q06187 2/20 0.51
EGFR P00533 1/20 0.51
AURKB Q96GD4 2/20 0.51
JAK1 P23458 1/20 0.51
IGF1R P08069 2/20 0.50
ULK1 O75385 1/20 0.50
ULK2 Q8IYT8 1/20 0.50
PLK4 O00444 1/20 0.50
PDPK1 O15530 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
NTRK1 P04629 1/20 0.50

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
SCHEMBL3265411 0.86 AURKA (0.52) JAK2LRRK2ALKSYKAURKA
SCHEMBL2511992 0.84 CTSC (0.52) JAK2LRRK2ALKSYKCTSC
SCHEMBL3150023 0.84 AURKA (0.61) JAK2SYKAURKAAURKBFLT3
SCHEMBL29816634 0.83 JAK2 (0.79) JAK2LRRK2ALKCDK19SYK
SCHEMBL15391316 0.83 JAK2 (0.79) JAK2LRRK2ALKCDK19SYK
SCHEMBL29695649 0.83 EGFR (0.61) JAK2LRRK2SYKTYRO3AURKA
SCHEMBL4442456 0.83 SYK (0.50) JAK2SYKTYRO3AURKAJAK1
SCHEMBL4442460 0.83 SYK (0.53) JAK2SYKTYRO3AURKAJAK1
SCHEMBL3135192 0.82 SYK (0.56) JAK2SYKAURKAJAK1TYK2
SCHEMBL1937742 0.81 CTSC (0.49) JAK2LRRK2ALKSYKCTSC

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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP 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 (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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 JAK2 1463/4885LRRK2 3855/4885ALK 880/4885

“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.