SCHEMBL4156602

SCHEMBL4156602

Oc1ccc(-c2cncc(NCc3cc(O)cc(O)c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.51
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
KDR P35968 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
BLM P54132 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL4921246 0.90 FYN (0.50) FYNKDRKCNH2MAPTCYP11B2
SCHEMBL4138960 0.87 FYN (0.60) FYNKDRKCNH2MEN1ALDH1A1
SCHEMBL4201126 0.84 FYN (0.71) FYNKDRKCNH2HSD17B1CYP11B2
SCHEMBL4160467 0.84 FYN (0.48) FYNMEN1ALDH1A1GAAMAPT
SCHEMBL4147320 0.82 FYN (0.76) FYNKDRKCNH2MEN1ALDH1A1
SCHEMBL4140694 0.82 FYN (0.46) FYNKDRKCNH2MEN1ALDH1A1
SCHEMBL4144178 0.82 FYN (0.46) FYNKDRGAAMAPK1CLK1
SCHEMBL4151719 0.81 FYN (0.51) FYNKDRMEN1ALDH1A1GAA
SCHEMBL4149226 0.81 INSR (0.49) FYNKDRKCNH2MEN1ALDH1A1
SCHEMBL4151785 0.81 KDM1A (0.50) FYNKCNH2MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT FYN 114/4885ABL1 537/4885ABCB1 2179/4885

“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.