SCHEMBL4569768

SCHEMBL4569768

CCc1cn(B(C)O)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.40
ELANE P08246 6/20 0.39
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
COMT P21964 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PRKCB P05771 1/20 0.34
GSK3B P49841 1/20 0.34
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4569769 0.89 KDM4E (0.41) FEN1ELANEMAPTTP53KDM4E
SCHEMBL4569764 0.79 KMT2A (0.45) FEN1ELANEKDM4EALDH1A1MEN1
SCHEMBL13168783 0.76 CCNT1 (0.47) FEN1ELANEKDM4EALDH1A1PRKCB
SCHEMBL4569770 0.74 CYP19A1 (0.34)
SCHEMBL18509150 0.74 ELANE (0.40) FEN1ELANECOMTKDM4EALDH1A1
SCHEMBL12146938 0.74 ELANE (0.40) FEN1ELANEMAPTTP53COMT
SCHEMBL30902715 0.74 ELANE (0.40) FEN1ELANEMAPTCOMTKDM4E
SCHEMBL29223650 0.74 ELANE (0.40) FEN1ELANEMAPTCOMTKDM4E
SCHEMBL3210383 0.74 ELANE (0.40) FEN1ELANECOMTKDM4EALDH1A1
SCHEMBL18993226 0.73 PDE4A (0.42) FEN1ELANEKDM4EALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 FEN1 1354/4885ELANE 2008/4885MAPT 2492/4885

“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.