SCHEMBL3511896

SCHEMBL3511896

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.76
ABL1 P00519 7/20 0.65
BCR P11274 6/20 0.65
PRKCA P17252 4/20 0.65
SRC P12931 4/20 0.53
EGFR P00533 3/20 0.53
PRKACA P17612 2/20 0.53
PRKACG P22612 2/20 0.53
PRKACB P22694 2/20 0.53
PRKCD Q05655 2/20 0.53
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CDK1 P06493 3/20 0.49
CDK2 P24941 3/20 0.49
MTOR P42345 2/20 0.49
SMG1 Q96Q15 2/20 0.49
CDK4 P11802 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNA2 P20248 2/20 0.49
CCND1 P24385 2/20 0.49

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
SCHEMBL3510088 0.95 CSNK2A1 (0.70) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL8837844 0.94 CSNK2A1 (0.68) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL3514107 0.93 CSNK2A1 (0.66) CSNK2A1ABL1BCRPRKCASRC
Hydrochloric Acid SCHEMBL3511423 0.93 CSNK2A1 (0.65) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL3511553 0.92 CSNK2A1 (0.66) CSNK2A1ABL1BCRPRKCASRC
Hydrochloric Acid SCHEMBL3511724 0.91 CSNK2A1 (0.65) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL8837783 0.87 CSNK2A1 (0.67) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL8837780 0.86 CSNK2A1 (1.00) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL3509891 0.86 ABL1 (0.74) CSNK2A1ABL1BCRPRKCASRC
SCHEMBL3511762 0.85 ABL1 (0.73) CSNK2A1ABL1BCRPRKCASRC

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 15 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
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO 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
EP-0640582-A3 Process for the preparation of methyle esters of aromatic methoxy carboxylic acids. CASSELLA FARBWERKE MAINKUR AG (DE) 1995-08-02 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed
EP-0640582-A2 Process for the preparation of methyle esters of aromatic methoxy carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
US-4590290-A REACTING DIMETHYL SULFATE WITH G-HYDROXY-1-NAPHTHOIC ACID AMERICAN CYANAMID COMPANY (US) 1986-05-20 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 CSNK2A1 4215/4885ABL1 268/4885BCR 2868/4885

“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.