SCHEMBL10258592

SCHEMBL10258592

COc1ccc2cc1OCCNC(=O)CC1CCN(CC1)Cc1cc(ccc1Cl)Nc1cc(ncn1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.38
TP53 P04637 2/20 0.34
PLK4 O00444 1/20 0.31
SRC P12931 2/20 0.30
GAK O14976 1/20 0.30
RIPK2 O43353 1/20 0.30
STK10 O94804 1/20 0.30
RET P07949 1/20 0.30
FECH P22830 1/20 0.30
FLT4 P35916 1/20 0.30
ERBB4 Q15303 1/20 0.30
AKT3 Q9Y243 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30

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
SCHEMBL463798 0.90 FLT3 (0.36) EGFRTP53AXLFLT3TYRO3
SCHEMBL10258270 0.89 EGFR (0.39) EGFRTP53PLK4SRCAXL
SCHEMBL414378 0.88 EGFR (0.39) EGFRTP53PLK4SRCGAK
SCHEMBL413802 0.85 EGFR (0.36) EGFRTP53PLK4SRCGAK
SCHEMBL415865 0.85 EGFR (0.41) EGFRTP53PLK4SRCGAK
SCHEMBL463810 0.84 EGFR (0.36) EGFRPLK4AXLFLT3TYRO3
SCHEMBL463804 0.84 EGFR (0.40) EGFRTP53PLK4SRCGAK
SCHEMBL415909 0.83 EGFR (0.38) EGFRTP53PLK4SRCGAK
SCHEMBL463841 0.83 EGFR (0.40) EGFRPLK4SRCGAKRIPK2
SCHEMBL10266919 0.83 EGFR (0.40) EGFRTP53PLK4TSHRFLT3

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-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885TP53 4147/4885PLK4 2796/4885

“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.