SCHEMBL4458245

SCHEMBL4458245

CNc1cccc(N(c2ccc(OC)nc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
PIM1 P11309 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PFKFB3 Q16875 1/20 0.33
KCNA5 P22460 2/20 0.33
ADORA2A P29274 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL14435380 0.88 ROCK2 (0.36) CYP19A1KMT2AKCNA5ADORA2AROCK2
SCHEMBL4462686 0.88 CYP19A1 (0.40) CYP19A1KMT2AMEN1USP2PFKFB3
SCHEMBL4460609 0.87 KCNA5 (0.46) CYP19A1KMT2AMEN1KCNA5ADORA2A
SCHEMBL13971399 0.87 ADORA2A (0.34) CYP19A1KMT2AMEN1USP2PFKFB3
SCHEMBL4453052 0.87 ALDH1A1 (0.40) CYP19A1KMT2AADORA2AROCK2ALDH1A1
SCHEMBL4462113 0.86 ALDH1A1 (0.40) CYP19A1KMT2AADORA2AROCK2ALDH1A1
SCHEMBL4469190 0.84 CYP19A1 (0.36) CYP19A1KMT2AMEN1USP2PFKFB3
SCHEMBL4459564 0.84 CYP19A1 (0.36) CYP19A1KMT2AMEN1USP2PFKFB3
SCHEMBL14435718 0.84 PDE4D (0.37) CYP19A1KMT2AMEN1USP2KCNA5
SCHEMBL4461835 0.83 CYP19A1 (0.40) CYP19A1KMT2AKCNA5ROCK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP19A1 4359/4885PIM1 2419/4885KMT2A 130/4885

“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.