SCHEMBL3511762

SCHEMBL3511762

NC(=O)c1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.73
BCR P11274 6/20 0.73
PRKCA P17252 4/20 0.73
CSNK2A1 P68400 1/20 0.65
SRC P12931 4/20 0.59
EGFR P00533 2/20 0.59
PRKACA P17612 2/20 0.59
PRKACG P22612 2/20 0.59
PRKACB P22694 2/20 0.59
PRKCD Q05655 2/20 0.59
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
PIK3CG P48736 5/20 0.48
PIK3CA P42336 3/20 0.48
MAPK8 P45983 2/20 0.48
GSK3B P49841 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL3509891 0.91 ABL1 (0.74) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837776 0.90 ABL1 (0.70) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837795 0.87 ABL1 (0.80) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3511553 0.87 CSNK2A1 (0.66) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3510088 0.86 CSNK2A1 (0.70) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837915 0.86 ABL1 (0.79) ABL1BCRPRKCACSNK2A1SRC
Hydrochloric Acid SCHEMBL3511724 0.86 CSNK2A1 (0.65) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837787 0.85 ABL1 (0.71) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3514107 0.85 CSNK2A1 (0.66) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3511896 0.85 CSNK2A1 (0.76) ABL1BCRPRKCACSNK2A1SRC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US claimed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 EP claimed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 WO claimed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US claimed
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 EP disclosed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 WO disclosed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 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-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES CYP1A1, CYP1A2, PAH ABL1 268/4885BCR 2868/4885PRKCA 4583/4885

“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.