SCHEMBL4886033

SCHEMBL4886033

Cc1c(C(=O)O)cn(C)c1-c1cncnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
ERN1 O75460 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
AR P10275 1/20 0.33
FTO Q9C0B1 1/20 0.33
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM6B O15054 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
MYC P01106 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4A O75164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 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
SCHEMBL15882745 0.74 NPC1 (0.45) DHODHKDM4EKMT2AKDM4CMYC
SCHEMBL4638916 0.74 NOTUM (0.42) KDM4EKMT2AKDM4CKDM4ANOTUM
SCHEMBL4889772 0.71 KDM2B (0.44) DHODHKDM4EKDM4CALDH1A1NPC1
SCHEMBL4638435 0.71 RXRB (0.51) KDM4EMYCALDH1A1NOTUMGAA
SCHEMBL4638600 0.70 CREBBP (0.54) DHODHKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL4891845 0.70 NOTUM (0.37) KDM4EKMT2AMYCMEN1ALDH1A1
SCHEMBL1663680 0.69 NOTUM (0.41) KDM4EKMT2AMYCMEN1ALDH1A1
SCHEMBL4892927 0.69 MYC (0.49) FTOKDM4EKMT2AKDM4CMYC
SCHEMBL4639687 0.69 MYC (0.49) KDM4EKMT2AMYCMEN1ALDH1A1
SCHEMBL4638418 0.69 AKR1C3 (0.41) KMT2AMEN1NPC1RAB9A

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
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US 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

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 HCAR2 32/4885ERN1 3756/4885EGLN1 2248/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 HCAR2 32/4885ERN1 3756/4885EGLN1 2248/4885

“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.