SCHEMBL6134954

SCHEMBL6134954

COc1ccc(N2CCC(Oc3ccc(-c4nn5c(-c6ccc(C(=O)O)cc6)cnc5s4)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.47
MKNK2 Q9HBH9 6/20 0.47
PIK3CA P42336 2/20 0.44
CSNK2A2 P19784 3/20 0.42
CSNK2A1 P68400 3/20 0.42
FYN P06241 1/20 0.42
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 2/20 0.39
ACACB O00763 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SSTR5 P35346 1/20 0.39

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
SCHEMBL6134521 0.92 MKNK1 (0.45) MKNK1MKNK2HRH1CCR3KCNH2
SCHEMBL6135026 0.85 MKNK1 (0.47) MKNK1MKNK2FYNUSP2
SCHEMBL6135271 0.84 CSNK2A2 (0.53) CSNK2A2CSNK2A1HRH1CCR3KCNH2
SCHEMBL6132627 0.84 MKNK1 (0.48) MKNK1MKNK2FYNUSP2ALDH1A1
SCHEMBL6133900 0.83 MKNK1 (0.45) MKNK1MKNK2CSNK2A2CSNK2A1FYN
SCHEMBL6134578 0.83 MKNK1 (0.46) MKNK1MKNK2CSNK2A2CSNK2A1FYN
SCHEMBL6135136 0.83 MKNK1 (0.47) MKNK1MKNK2MEN1KMT2AALDH1A1
SCHEMBL6132394 0.83 MKNK1 (0.46) MKNK1MKNK2PIK3CACSNK2A2CSNK2A1
SCHEMBL6134883 0.83 HDAC3 (0.51) MKNK1MKNK2PIK3CAMEN1POLB
SCHEMBL6134934 0.82 MKNK1 (0.47) MKNK1MKNK2KCNH2MEN1KMT2A

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 MKNK1 2695/4885MKNK2 3220/4885PIK3CA 2482/4885

“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.