SCHEMBL4893584

SCHEMBL4893584

Cc1c(C(=O)O)cn(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
MYC P01106 5/20 0.36
NR4A1 P22736 3/20 0.36
CSNK2A1 P68400 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
HAAO P46952 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL2031843 0.79 NR4A2 (0.47) MYCMEN1KMT2ATDP1MAPT
SCHEMBL1663680 0.78 NOTUM (0.41) NOTUMMYCNR4A1CSNK2A1MEN1
SCHEMBL7253526 0.77 NOTUM (0.40) NOTUMMYCNR4A1CSNK2A1MEN1
SCHEMBL31231929 0.76 CNR2 (0.35) NOTUMMYCNR4A1CSNK2A1MEN1
SCHEMBL2027511 0.76 BAZ2B (0.53) MEN1KMT2AMAPTMAP2K1KDM4E
SCHEMBL23147013 0.71 LMNA (0.37) NOTUMMYCNR4A1MEN1KMT2A
SCHEMBL4891845 0.68 NOTUM (0.37) NOTUMMYCCSNK2A1MEN1KMT2A
SCHEMBL7928003 0.68 NOTUM (0.40) NOTUMMYCNR4A1CSNK2A1MEN1
SCHEMBL27679430 0.68 BRD4 (0.40) NOTUMMYCCSNK2A1MAP2K1KDM4E
SCHEMBL6894764 0.67 BAZ2B (0.48) KMT2AMAPTESR2KDM4E

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 6 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
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN 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 NOTUM 1646/4885MYC 4455/4885NR4A1 538/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885MYC 4455/4885NR4A1 538/4885

“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.