Sugi Predict

Sugi Predict / Compounds / SCHEMBL413802

SCHEMBL413802

SCHEMBL413802

COc1ccc2cc1OCCNC(=O)CCN1CCC(CC1)N(C)Cc1cc(ccc1Cl)Nc1cc(ncn1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.36
▸ PLK4 O00444 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ RET P07949 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ FECH P22830 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ ERBB4 Q15303 1/20 0.31
▸ AKT3 Q9Y243 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL414378 0.90 EGFR (0.39) EGFRPLK4FLT3TP53GAK
SCHEMBL463804 0.88 EGFR (0.40) EGFRPLK4FLT3AXLTYRO3
SCHEMBL463808 0.86 EGFR (0.34) EGFRFLT3TP53GAKRIPK2
SCHEMBL463814 0.86 EGFR (0.38) EGFRPLK4TP53GAKRIPK2
SCHEMBL10258592 0.85 EGFR (0.38) EGFRPLK4FLT3AXLTYRO3
SCHEMBL463841 0.85 EGFR (0.40) EGFRPLK4FLT3AXLTYRO3
SCHEMBL463773 0.84 EGFR (0.39) EGFRPLK4FLT3GAKRIPK2
SCHEMBL463850 0.84 EGFR (0.42) EGFRSRC
SCHEMBL415865 0.84 EGFR (0.41) EGFRPLK4FLT3TP53GAK
SCHEMBL10258270 0.83 EGFR (0.39) EGFRPLK4FLT3AXLTYRO3

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 8 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-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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — 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 (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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 EGFR 1090/4885PLK4 3151/4885FLT3 2149/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885PLK4 2796/4885FLT3 2372/4885

“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.