SCHEMBL1937577

SCHEMBL1937577

O=Cc1cccc(Nc2ncc(Br)c(NC3CCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.50
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
IGF1R P08069 7/20 0.47
TBK1 Q9UHD2 3/20 0.46
PDPK1 O15530 2/20 0.46
ULK1 O75385 1/20 0.43
MARK3 P27448 1/20 0.43
MARK4 Q96L34 1/20 0.43
STK17A Q9UEE5 1/20 0.43

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
SCHEMBL1937543 0.97 SYK (0.50) SYKAURKAAURKBIGF1RTBK1
SCHEMBL1937791 0.87 CTSC (0.53) SYKULK1
SCHEMBL1937038 0.84 ULK1 (0.63) ULK1
SCHEMBL2509928 0.83 SYK (0.50) SYKULK1
SCHEMBL2514310 0.83 SYK (0.46) SYKULK1
SCHEMBL1937742 0.83 CTSC (0.49) SYK
SCHEMBL1937028 0.83 EGFR (0.56) SYKAURKAAURKBIGF1RPDPK1
SCHEMBL1936755 0.81 ULK1 (0.62) ULK1
SCHEMBL3568807 0.80 IGF1R (0.45) SYKAURKAAURKBIGF1RTBK1
SCHEMBL13048680 0.80 HTR2A (0.51) SYK

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 SYK 1749/4885AURKA 1998/4885AURKB 2995/4885

“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.