SCHEMBL13611581

SCHEMBL13611581

COc1ccc(N(C)c2cc(-c3ccccc3)nc(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.53
EGFR P00533 4/20 0.53
PDGFRB P09619 4/20 0.53
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
ACACA Q13085 1/20 0.47
PDGFRA P16234 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
BRD4 O60885 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4300169 0.80 KDR (0.51) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL3237986 0.74 EGFR (0.60) KDREGFRMAPTACACAKDM4E
SCHEMBL4647596 0.73 KMT2A (0.59) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL13241207 0.72 EGFR (0.50) KDREGFRPDGFRBKDM4ESMN1; SMN2
SCHEMBL9975602 0.71 MAPT (0.49) KDREGFRPDGFRBMAPTKDM4E
SCHEMBL8271638 0.71 ACACA (0.66) MAPTACACAKDM4EMEN1KMT2A
SCHEMBL20111051 0.71 KDR (0.47) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL18512973 0.70 TUBB3 (0.43) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL5277509 0.70 CA4 (0.56) KDREGFRPDGFRBKDM4EHPGD
SCHEMBL9479727 0.70 CA4 (0.56) KDREGFRPDGFRBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US disclosed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US disclosed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 WO disclosed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 WO 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-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 KDR 1693/4885EGFR 288/4885PDGFRB 625/4885

“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.