SCHEMBL4895914

SCHEMBL4895914

Cc1c(C(=O)O)cn(C)c1-c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BRD4 O60885 2/20 0.39
MMP2 P08253 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL4892927 0.84 MYC (0.49) MYCKDM4EHSD17B10BRD4KMT2A
SCHEMBL4638617 0.79 HTT (0.46) KDM4EHSD17B10KMT2AMEN1TDP1
SCHEMBL4898708 0.79 POLB (0.40) MYCKDM4ENPC1RAB9AKMT2A
SCHEMBL4893947 0.79 KDM4E (0.52) MYCKDM4EKMT2AMEN1MAPT
SCHEMBL2025180 0.78 TAS2R14 (0.47) ALDH1A1
SCHEMBL4639687 0.78 MYC (0.49) MYCKDM4EHSD17B10KMT2AMEN1
SCHEMBL4896916 0.77 MCL1 (0.41) MYCKDM4EBRD4KMT2AMEN1
SCHEMBL4888733 0.77 BRD4 (0.50) BRD4ALDH1A1
SCHEMBL4893743 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1
SCHEMBL4783866 0.76 IRAK4 (0.43) KDM4EHSD17B10BRD4L3MBTL1IDO1

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 7 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 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-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 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 MYC 4455/4885KDM4E 4268/4885HSD17B10 2768/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MYC 4455/4885KDM4E 4268/4885HSD17B10 2768/4885

“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.