SCHEMBL3512029

SCHEMBL3512029

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.62
MTOR P42345 1/20 0.62
SMG1 Q96Q15 1/20 0.62
CLK1 P49759 1/20 0.60
CLK2 P49760 1/20 0.60
DYRK1A Q13627 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
SYK P43405 2/20 0.55
GSK3B P49841 3/20 0.53
MAPK8 P45983 2/20 0.53
PIK3CG P48736 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
CDK2 P24941 1/20 0.52

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
SCHEMBL3514514 0.90 AURKA (0.62) AURKAMTORSMG1CLK1CLK2
SCHEMBL3514414 0.85 AURKA (0.64) AURKAMTORSMG1CLK1CLK2
SCHEMBL27116471 0.85 CLK1 (0.66) AURKAMTORSMG1CLK1CLK2
SCHEMBL3515253 0.83 CAMK2D (0.67) MTORSMG1GSK3BMAPK8PIK3CG
SCHEMBL4901590 0.83 ABL1 (0.67) AURKAMTORSMG1CLK1CLK2
SCHEMBL6110038 0.82 AURKA (0.60) AURKAMTORSMG1CLK1CLK2
SCHEMBL25336406 0.82 CAMK2D (0.69) AURKAMTORSMG1CLK1CLK2
SCHEMBL4892529 0.82 CLK1 (0.65) AURKAMTORSMG1CLK1CLK2
SCHEMBL30554563 0.82 CAMK2D (0.69) AURKAMTORSMG1CLK1CLK2
SCHEMBL2328646 0.82 CLK1 (0.65) AURKAMTORSMG1CLK1CLK2

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 12 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
CN-101687839-A Fungicide phenyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE SA 2010-03-31 CN 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
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP claimed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US claimed
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
CN-101687839-A Fungicide phenyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE SA 2010-03-31 CN 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
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP disclosed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US 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 AURKA 2236/4885MTOR 913/4885SMG1 2253/4885

“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.