SCHEMBL4104449

SCHEMBL4104449

N#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
LRRK2 Q5S007 3/20 0.39
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 5/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP19A1 P11511 1/20 0.36
MAT2A P31153 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
FASN P49327 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL509046 0.86 KCNH2 (0.45) LRRK2CYP11B1CYP11B2MAT2AFASN
SCHEMBL4098122 0.85 PGR (0.44) PGRLRRK2CYP11B1CYP11B2ALOX5AP
SCHEMBL4105432 0.80 AR (0.38) LRRK2MAT2AHRH3
SCHEMBL4105299 0.80 AR (0.41) PGRMAT2AJAK2JAK1JAK3
SCHEMBL10250882 0.78 KCNH2 (0.36) LRRK2MAT2A
SCHEMBL4105032 0.77 LRRK2 (0.37) LRRK2MAT2AFASN
SCHEMBL5176401 0.71 KCNH2 (0.47) PGRLRRK2FASNJAK2JAK1
SCHEMBL4709063 0.69 PGR (0.47) PGRCYP11B1CYP11B2ALOX5APFEN1
SCHEMBL4812237 0.69 KCNH2 (0.67) PGRJAK2JAK1JAK3
SCHEMBL4109832 0.68 ENPP3 (0.39) LRRK2MAT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
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
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
EP-1948615-A2 COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2008-07-30 EP disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US 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 (4 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 PGR 155/4885LRRK2 2918/4885CYP11B1 738/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885LRRK2 3302/4885CYP11B1 557/4885
US-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885LRRK2 3396/4885CYP11B1 413/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885LRRK2 3140/4885CYP11B1 476/4885

“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.