SCHEMBL5997902

SCHEMBL5997902

O=C(Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1)c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
MAPK14 Q16539 1/20 0.61
WEE1 P30291 4/20 0.47
KDR P35968 4/20 0.43
CDK1 P06493 3/20 0.43
AURKA O14965 1/20 0.42
SRC P12931 3/20 0.42
ABL1 P00519 1/20 0.42
YES1 P07947 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42
JAK2 O60674 2/20 0.41
TYK2 P29597 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KIT P10721 1/20 0.40
JAK1 P23458 1/20 0.39

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
SCHEMBL5998026 0.87 LCK (0.57) LCKMAPK14SRCABL1
SCHEMBL5996926 0.84 LCK (0.61) LCKMAPK14AURKASRCABL1
SCHEMBL5994744 0.82 KDR (0.46) WEE1KDRCDK1SRCABL1
SCHEMBL5998284 0.81 LCK (0.57) LCKMAPK14KDRSRCABL1
SCHEMBL14303235 0.80 BTK (0.49) LCKMAPK14WEE1KDRSRC
SCHEMBL5998263 0.80 LCK (0.55) LCKMAPK14KDRSRCYES1
SCHEMBL5997863 0.79 LCK (0.57) LCKMAPK14SRCABL1ALDH1A1
SCHEMBL2495207 0.79 BTK (0.64) LCKMAPK14KDRSRCABL1
SCHEMBL2494628 0.78 KDR (0.42) LCKMAPK14WEE1KDRCDK1
SCHEMBL5998031 0.76 LCK (0.62) LCKMAPK14WEE1KDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK LCK 4/4885MAPK14 401/4885WEE1 157/4885

“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.