SCHEMBL4115341

SCHEMBL4115341

Cc1cc(Oc2c(C3CC3)n[nH]c2Cl)cc(C)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.33
KCNH2 Q12809 3/20 0.33
FASN P49327 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 2/20 0.31
LRRK2 Q5S007 1/20 0.31
SCN9A Q15858 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL14538333 0.90 RAPGEF4 (0.38) RAPGEF4KCNH2FASNCYP2C19CYP3A4
SCHEMBL4748718 0.86 PKM (0.35) RAPGEF4KCNH2PKMCYP2C19CYP1A2
SCHEMBL4105032 0.86 LRRK2 (0.37) RAPGEF4KCNH2FASNPKMCYP2C19
SCHEMBL4751023 0.82 KCNH2 (0.37) RAPGEF4KCNH2FASNPKMCYP2C19
SCHEMBL4751664 0.81 RAPGEF4 (0.33) RAPGEF4KCNH2PKMCYP2C19CYP1A2
SCHEMBL4751578 0.78 KDM4E (0.37) RAPGEF4LRRK2POLBMAPK1
SCHEMBL4098740 0.77 LRRK2 (0.34) KCNH2FASNCYP2C19CYP1A2SMN1; SMN2
SCHEMBL4103776 0.75 PKM (0.34) RAPGEF4PKMCYP2C19CYP1A2SMN1; SMN2
SCHEMBL4748837 0.74 KDM4E (0.36) RAPGEF4POLBTSHR
SCHEMBL5176401 0.73 KCNH2 (0.47) KCNH2FASNCYP2C19CYP3A4LRRK2

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 14 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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RAPGEF4 3294/4885KCNH2 378/4885FASN 2969/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 RAPGEF4 3523/4885KCNH2 262/4885FASN 3949/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 RAPGEF4 3991/4885KCNH2 1091/4885FASN 3657/4885

“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.