SCHEMBL4103189

SCHEMBL4103189

N#Cc1ccc(Oc2c(C3CC3)nn(CC(N)=O)c2C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.49
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM1A O60341 1/20 0.36
SCN9A Q15858 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FPR2 P25090 1/20 0.35
PRKDC P78527 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
IL18 Q14116 1/20 0.34

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
SCHEMBL4959617 0.90 PGR (0.50) PGRPARP15PARP10PARP2SCN9A
SCHEMBL4102713 0.86 PGR (0.64) PGRPARP15PARP10PARP2SCN9A
SCHEMBL4709063 0.86 PGR (0.47) PGRPARP15PARP10PARP2CYP11B1
SCHEMBL13889242 0.85 PGR (0.48) PGRCYP11B1CYP11B2KDM4EPOLB
SCHEMBL4609093 0.83 PGR (0.46) PGRALOX5APFEN1
SCHEMBL4609487 0.82 PGR (0.46) PGRCYP11B1CYP11B2ALOX5APFEN1
SCHEMBL4110151 0.82 ALDH1A1 (0.35) PGRKDM1AKDM4EMEN1LMNA
SCHEMBL4608270 0.80 PGR (0.62) PGRCYP11B1CYP11B2FPR2KDM4E
SCHEMBL4608005 0.80 PGR (0.53) PGRCYP11B1CYP11B2FPR2KDM4E
SCHEMBL4609190 0.79 PGR (0.53) PGRSCN9ACYP11B1CYP11B2FPR2

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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885PARP15 1548/4885PARP10 788/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885PARP15 2124/4885PARP10 934/4885

“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.