SCHEMBL3858090

SCHEMBL3858090

Cc1ccccc1-c1c2cccc(C(F)(F)F)c2nn1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.73
NR1H3 Q13133 13/20 0.73
NR1I2 O75469 2/20 0.50
NR3C1 P04150 2/20 0.50
AR P10275 2/20 0.47
RXRA P19793 1/20 0.47
ESR1 P03372 1/20 0.46
P2RX7 Q99572 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDC7 O00311 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL1407570 0.93 NR1H2 (0.70) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407491 0.89 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407603 0.88 NR1H2 (0.70) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407357 0.87 NR1H2 (0.72) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407094 0.85 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407348 0.85 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407397 0.85 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407332 0.85 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407219 0.85 NR1H3 (1.00) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407125 0.84 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US claimed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US claimed

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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 NR1H2 1/4885NR1H3 2/4885NR1I2 6/4885

“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.