SCHEMBL6019010

SCHEMBL6019010

Cn1cc(C(=O)Nc2ccccc2-c2ccccn2)c(I)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATR Q13535 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
GRM5 P41594 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6019248 0.84 LMNA (0.53) ATMATRS1PR1S1PR3
SCHEMBL10238297 0.81 ATM (0.50) ATMIRAK4TDP1ALDH1A1L3MBTL1
SCHEMBL4094901 0.80 TDP1 (0.58) ATMTDP1ALDH1A1L3MBTL1JAK2
SCHEMBL10238279 0.80 ATM (0.54) ATMIRAK4TDP1ALDH1A1L3MBTL1
SCHEMBL645503 0.77 ATM (0.76) ATMALDH1A1
SCHEMBL646049 0.77 ATM (0.53) ATMALDH1A1L3MBTL1CYP2C9
SCHEMBL16133857 0.77 ATM (0.53) ATMIRAK4L3MBTL1JAK2CYP2C9
SCHEMBL10238290 0.77 NTRK1 (0.57) ATMALDH1A1L3MBTL1ABCB1ABCG2
SCHEMBL647342 0.76 ATM (0.52) ATMIRAK4L3MBTL1JAK2CYP2C9
SCHEMBL10238274 0.76 CHRM3 (0.50) ATMTDP1ALDH1A1L3MBTL1JAK2

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-20060178513-A1 Pyridinylanilides BAYER CROPSCIENCE AG (DE) 2006-08-10 US disclosed
EP-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 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-20060178513-A1 Pyridinylanilides C3AR1, C5, PADI1 ATM 2528/4885IRAK4 424/4885TDP1 932/4885

“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.