SCHEMBL3699130

SCHEMBL3699130

CCOC(=O)c1cc(Sc2cccnc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
PDE4B Q07343 2/20 0.48
GAA P10253 1/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 3/20 0.39
MAPK1 P28482 1/20 0.39
GSK3B P49841 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3700134 0.91 KMT2A (0.44) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3691833 0.89 PDE4B (0.51) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3692657 0.89 ALDH1A1 (0.44) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3702529 0.87 ALDH1A1 (0.44) KMT2AALDH1A1MEN1GAATP53
SCHEMBL3708884 0.87 PDE4B (0.47) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL2838638 0.86 PDE4B (0.48) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3697497 0.84 PDE4B (0.48) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL2843065 0.84 PDE4B (0.48) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3701934 0.82 KMT2A (0.44) KMT2AALDH1A1MEN1PDE4BGAA
SCHEMBL3695878 0.82 PDE4B (0.46) KMT2AALDH1A1MEN1PDE4BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KMT2A 4776/4885ALDH1A1 1497/4885MEN1 1910/4885

“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.