SCHEMBL5567787

SCHEMBL5567787

O=[N+]([O-])c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
AURKA O14965 1/20 0.47
PTK2 Q05397 1/20 0.45
STK17A Q9UEE5 2/20 0.45
STK17B O94768 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CFTR P13569 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
KIF11 P52732 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PLK1 P53350 1/20 0.44
CDK1 P06493 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 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
SCHEMBL29229097 0.85 CDK2 (0.55) MEN1KMT2ACFTRGSK3BCDK1
SCHEMBL30221524 0.85 CDK2 (0.55) MEN1KMT2ACFTRGSK3BCDK1
SCHEMBL1917337 0.82 STK17A (0.60) AURKAPTK2STK17AADORA3GSK3A
SCHEMBL5562631 0.80 AURKA (0.52) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL3284454 0.80 CDK1 (0.53) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL5561870 0.80 CDK2 (0.64) AURKAPTK2CDK1CDK2
SCHEMBL5567494 0.80 CDK1 (0.58) AURKAPTK2CDK1CDK2
SCHEMBL1916571 0.79 GSK3A (0.56) MEN1KMT2AAURKAPTK2STK17A
SCHEMBL25236840 0.79 AURKA (0.49) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL30646205 0.79 AURKA (0.49) AURKAPTK2STK17AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663991-B1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PROD INC (US) 2007-01-10 EP disclosed
US-7122670-B2 Selective synthesis of CF3-substituted pyrimidines PFIZER INC (US) 2006-10-17 US disclosed
EP-1663991-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES Pfizer Products Inc. (US) 2006-06-07 EP disclosed
US-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines PFIZER INC. 2005-05-12 US disclosed
WO-2005023780-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PRODUCTS INC. (US) 2005-03-17 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-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines HNRNPH3, HNRNPA3, NUDT1 MEN1 2251/4885KMT2A 2634/4885PIK3CA 2423/4885

“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.