SCHEMBL3857488

SCHEMBL3857488

Cc1n[nH]c2ccc(Nc3ncc(F)c(Nc4ccc(Cl)cc4)n3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.53
AURKA O14965 8/20 0.50
CDK1 P06493 2/20 0.49
GLO1 Q04760 1/20 0.48
STK17A Q9UEE5 2/20 0.48
PLK4 O00444 1/20 0.47
PDPK1 O15530 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
FES P07332 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
IGF1R P08069 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL6016199 0.91 SYK (0.52) SYKAURKACDK1STK17APLK4
SCHEMBL6016759 0.91 SYK (0.49) SYKAURKACDK1STK17AGRM4
SCHEMBL6016263 0.90 SYK (0.48) SYKAURKACDK1GRM4
SCHEMBL6016171 0.85 GRM4 (0.50) SYKAURKACDK1GRM4
SCHEMBL6016128 0.85 SYK (0.69) SYKAURKACDK1
SCHEMBL6016437 0.85 SYK (0.59) SYKAURKACDK1JAK2CDK2
SCHEMBL4935260 0.85 SYK (0.68) SYKAURKA
SCHEMBL6016596 0.85 SYK (0.68) SYKAURKA
SCHEMBL6016323 0.84 SYK (0.58) SYKAURKACDK1ITKEGFR
SCHEMBL6016718 0.83 SYK (0.69) SYKSTK17AIGF1REGFR

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
US-7589200-B2 5-Fluoro-4N-phenyl-4-pyrimidineamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP 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
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 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-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.