SCHEMBL5998263

SCHEMBL5998263

O=C(Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
MAPK14 Q16539 1/20 0.55
SRC P12931 5/20 0.49
YES1 P07947 1/20 0.48
EGFR P00533 2/20 0.47
BTK Q06187 1/20 0.47
FGFR1 P11362 1/20 0.47
EPHX2 P34913 1/20 0.46
SYK P43405 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
AIMP2 Q13155 1/20 0.46
FAAH O00519 1/20 0.46
MET P08581 1/20 0.46
GAA P10253 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
KDR P35968 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5995311 0.89 SRC (0.54) LCKSRCYES1EGFRBTK
SCHEMBL5995263 0.86 SRC (0.54) SRCMETKDR
SCHEMBL2498345 0.86 GAA (0.52) SRCYES1EGFRBTKKDM4E
SCHEMBL2498319 0.83 SRC (0.49) SRCYES1EGFRBTKSYK
SCHEMBL2497853 0.82 BTK (0.51) LCKMAPK14SRCEGFRBTK
SCHEMBL2494861 0.82 MET (0.46) SRCYES1EGFRBTKFGFR1
SCHEMBL5994756 0.82 SRC (0.51) LCKSRCYES1FGFR1SYK
SCHEMBL2498311 0.82 POLB (0.53) SRCYES1EGFRBTKSYK
SCHEMBL2494902 0.80 BTK (0.56) BTKSYK
SCHEMBL2498478 0.80 KDM4E (0.54) SRCYES1EGFRBTKSYK

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-20110243999-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS TARGEGEN INC. 2011-10-06 US disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 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 (2 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK LCK 4/4885MAPK14 401/4885SRC 2/4885
US-20110243999-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS AQP3, AQP1, AQP4 LCK 3952/4885MAPK14 3953/4885SRC 4062/4885

“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.