SCHEMBL4640177

SCHEMBL4640177

Cc1nn(-c2ccccc2)nc1COc1cccc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
PKM P14618 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
KAT2B Q92831 1/20 0.49
CYP3A4 P08684 2/20 0.48
MPO P05164 1/20 0.48
MAOB P27338 2/20 0.44
PARP1 P09874 1/20 0.44
NR4A2 P43354 1/20 0.43
PTGER1 P34995 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
OPRM1 P35372 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL4640180 0.82 MPO (0.55) LMNAPKMKDM4EADORA2AADORA2B
SCHEMBL13899336 0.79 MAOA (0.54) LMNAPKMKDM4ECYP3A4MPO
SCHEMBL13899519 0.79 PPARA (0.47) KCNH2PPARGPPARA
SCHEMBL13899481 0.76 LMNA (0.46) LMNAPKMKDM4EADORA2AADORA2B
SCHEMBL13906048 0.74 BCHE (0.46) LMNAPKMKDM4ECYP3A4MPO
SCHEMBL1387246 0.73 NR4A2 (0.77) MAOBNR4A2
SCHEMBL2705810 0.73 KDM4E (0.46) LMNAPKMKDM4EADORA2AADORA2B
SCHEMBL13899335 0.72 LPAR1 (0.41) LMNAPKMKDM4ECYP3A4ALDH1A1
SCHEMBL13899485 0.72 KDM4E (0.47) LMNAPKMKDM4EADORA2AADORA2B
Hydrochloric Acid SCHEMBL27603151 0.72 NR4A2 (0.74) MAOBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885PKM 1022/4885KDM4E 4268/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885PKM 1022/4885KDM4E 4268/4885

“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.