SCHEMBL3955210

SCHEMBL3955210

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C#N)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.48
AR P10275 3/20 0.45
TTK P33981 1/20 0.45
CYP17A1 P05093 3/20 0.44
PSMB8 P28062 1/20 0.43
TRPA1 O75762 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
MAP4K4 O95819 1/20 0.40
PTPN1 P18031 1/20 0.39
NAMPT P43490 1/20 0.38
F9 P00740 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL6164774 0.82 TTK (0.55) EGLN2ARTTKCYP17A1PSMB8
SCHEMBL27669003 0.81 EGLN2 (0.62) EGLN2ARTTKCYP17A1PSMB8
SCHEMBL1438634 0.78 EGLN2 (0.58) EGLN2ARTTKTRPA1
SCHEMBL14087515 0.76 ALDH1A1 (0.55) EGLN2ARTTKCYP17A1TRPA1
SCHEMBL13244157 0.76 GRM4 (0.51) EGLN2ARTTKCYP17A1TRPA1
SCHEMBL30264004 0.76 TRPA1 (0.48) EGLN2ARTTKTRPA1MAPKAPK2
SCHEMBL31219250 0.76 GRM4 (0.51) EGLN2ARTTKCYP17A1TRPA1
SCHEMBL20865536 0.75 CYP17A1 (0.68) CYP17A1PSMB8BRD4CREBBPMAP4K4
SCHEMBL20370284 0.74 CYP17A1 (0.53) CYP17A1PSMB8BRD4CREBBPMAPKAPK2
SCHEMBL959690 0.74 EGLN2 (0.55) EGLN2CYP17A1PSMB8NAMPT

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-7517902-B2 Substituted indazoles, compositions containing the same, and the preparation and use thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517902-B2 Substituted indazoles, compositions containing the same, and the preparation and use thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517902-B2 Substituted indazoles, compositions containing the same, and the preparation and use thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20070161626-A1 Substituted Indazoles, Compositions Containing The Same, And The Preparation And Use Thereof AVENTIS PHARMA S.A. (FR) 2007-07-12 US disclosed
US-20070161626-A1 Substituted Indazoles, Compositions Containing The Same, And The Preparation And Use Thereof AVENTIS PHARMA S.A. (FR) 2007-07-12 US disclosed
US-20070161626-A1 Substituted Indazoles, Compositions Containing The Same, And The Preparation And Use Thereof AVENTIS PHARMA S.A. (FR) 2007-07-12 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 (1 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-20070161626-A1 Substituted Indazoles, Compositions Containing The Same, And The Preparation And Use Thereof CYP3A43, CYP3A7, CYP3A5 EGLN2 1097/4885AR 2324/4885TTK 3186/4885

“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.