SCHEMBL413684

SCHEMBL413684

CCOC(=O)c1cccc(Nc2cc(Cl)ncn2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
TP53 P04637 3/20 0.71
LMNA P02545 2/20 0.71
THRB P10828 1/20 0.71
EGFR P00533 4/20 0.61
ERBB3 P21860 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 3/20 0.57
CDC25B P30305 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ABCB1 P08183 1/20 0.53
HTT P42858 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
CYP1A2 P05177 1/20 0.51

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
SCHEMBL691525 0.88 ROCK1 (0.57) MAPTTP53LMNATHRBEGFR
SCHEMBL13968498 0.86 EGFR (0.65) MAPTTP53LMNATHRBEGFR
SCHEMBL18362155 0.84 MAPT (0.68) MAPTTP53LMNATHRBEGFR
SCHEMBL31240741 0.83 MAPT (0.61) MAPTTP53LMNATHRBEGFR
SCHEMBL5254906 0.83 KMT2A (0.56) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL18362149 0.83 MAPT (0.67) MAPTTP53LMNATHRBEGFR
SCHEMBL15486422 0.81 KMT2A (0.52) MAPTTP53LMNATHRBEGFR
SCHEMBL2299167 0.80 SCN9A (0.52) NPC1
SCHEMBL18362082 0.79 MAPT (0.62) MAPTTP53LMNATHRBEGFR
SCHEMBL23518343 0.79 MAPT (0.65) MAPTTP53LMNATHRBSMN1; SMN2

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 MAPT 4699/4885TP53 3933/4885LMNA 2533/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 MAPT 4717/4885TP53 4147/4885LMNA 2639/4885

“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.