SCHEMBL1268296

SCHEMBL1268296

Cc1ccc2c(c1)oc(=O)n2-c1ccnc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MIF P14174 2/20 0.41
▸ MET P08581 6/20 0.39
▸ PTGS2 P35354 3/20 0.37
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 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
SCHEMBL1269660 0.90 KMT2A (0.42) KDM4EMEN1NOS3NOS1NOS2
SCHEMBL1269528 0.82 MKNK1 (0.41) MIFP2RX3P2RX2ALDH1A1
SCHEMBL1025445 0.67 PKM (0.58) KDM4EMEN1KMT2AMIFALDH1A1
SCHEMBL5286912 0.66 MIF (0.53) MEN1NOS1KMT2AMIFPTGS2
SCHEMBL16997521 0.64 MIF (0.51) MEN1NOS1KMT2AMIFPTGS2
SCHEMBL1269228 0.64 PGR (0.41) KDM4EMEN1NOS3NOS1NOS2
SCHEMBL29264817 0.63 MIF (0.67) KDM4EMEN1KMT2AMIFMET
SCHEMBL31040339 0.63 MIF (0.67) KDM4EMEN1KMT2AMIFMET
SCHEMBL25153 0.63 — —
SCHEMBL29406785 0.63 — —

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP KDM4E 728/4885MEN1 1917/4885NOS3 858/4885

“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.

Send feedback