SCHEMBL3854812

SCHEMBL3854812

Fc1cnc(Cl)nc1Cl.Nc1cc(Nc2ncc(F)c(Nc3ccc([N+](=O)[O-])c(N)c3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.50
AURKA O14965 7/20 0.45
CDK1 P06493 2/20 0.45
STK17A Q9UEE5 2/20 0.45
GSK3B P49841 2/20 0.44
KDR P35968 2/20 0.43
PIN1 Q13526 1/20 0.43
AURKB Q96GD4 3/20 0.43
JAK2 O60674 2/20 0.43
PTK2B Q14289 2/20 0.43
PLK4 O00444 1/20 0.43
PDPK1 O15530 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
FES P07332 1/20 0.43
CSF1R P07333 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
SCHEMBL656149 0.92 SYK (0.59) SYKAURKACDK1STK17AGSK3B
SCHEMBL656514 0.80 BRD4 (0.57) SYKAURKACDK1STK17AGSK3B
SCHEMBL6016884 0.80 SYK (0.56) SYKAURKACDK1STK17AGSK3B
SCHEMBL31684791 0.79 PIN1 (0.54) SYKCDK1PIN1MEN1MAPT
SCHEMBL656938 0.79 AURKA (0.57) SYKAURKACDK1STK17AGSK3B
SCHEMBL655411 0.76 ALDH1A1 (0.61) SYKAURKACDK1STK17AGSK3B
SCHEMBL657103 0.76 SYK (0.74) SYKAURKACDK1STK17AGSK3B
SCHEMBL28655415 0.74 PIN1 (0.49) SYKAURKAPIN1ITKMAPT
R-112 SCHEMBL2483279 0.73 SYK (0.81) SYKAURKAAURKBMAPK8
SCHEMBL28656461 0.72 BCL6 (0.51) SYKPIN1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589200-B2 5-Fluoro-4N-phenyl-4-pyrimidineamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 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-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A SYK 42/4885AURKA 1583/4885CDK1 1914/4885

“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.