SCHEMBL4527722

SCHEMBL4527722

Cc1oc(N)nc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NUDT1 P36639 1/20 0.44
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
PTPN1 P18031 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ATR Q13535 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4524495 0.89 RAB9A (0.47) NR4A2ALDH1A1NUDT1POLBDPP4
SCHEMBL4529082 0.82 RAB9A (0.45) NR4A2ALDH1A1KDM4EGAAMAOA
SCHEMBL4526075 0.80 DHFR (0.45) ALDH1A1KDM4EGAAL3MBTL1PIK3CA
SCHEMBL4524328 0.77 NR4A2 (0.50) NR4A2NUDT1GAAL3MBTL1MAOA
SCHEMBL4828409 0.70 DHFR (0.46) NR4A2ALDH1A1KDM4EMAOAATR
SCHEMBL24105874 0.69 POLB (0.47) ALDH1A1KDM4EGAAL3MBTL1MAOA
SCHEMBL5154427 0.69 NR4A2 (0.68) NR4A2ALDH1A1KDM4ENUDT1L3MBTL1
SCHEMBL5214925 0.69 MAPK13 (0.58) NR4A2ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL330227 0.67 NR4A2 (1.00) NR4A2ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2089931 0.67 KDM4E (0.56) ALDH1A1KDM4EPTPN1POLBPTGS1

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
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B NR4A2 1040/4885ALDH1A1 1363/4885KDM4E 2758/4885

“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.