SCHEMBL6480649

SCHEMBL6480649

FC(F)(F)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
AXL P30530 1/20 0.42
NR3C1 P04150 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32

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
SCHEMBL6478917 0.81 DAO (0.46) LMNAHPGDITK
SCHEMBL6479227 0.78 HRH4 (0.38) KDM4EALDH1A1ARIDO1ITK
SCHEMBL6487991 0.78 ITK (0.50) AXLITK
SCHEMBL6488203 0.78 DAO (0.46) KIF11KDM4EALDH1A1MEN1HPGD
SCHEMBL6488916 0.78 DAO (0.46) GAAITK
SCHEMBL5802435 0.78 HRH4 (0.37) ALDH1A1POLBHPGDHSD17B10ITK
SCHEMBL6480513 0.74 MAP2K1 (0.37) NR3C1HTTPSEN1PSEN2APH1B
SCHEMBL5755265 0.73 PBRM1 (0.40) HDAC11KDM4EALDH1A1MEN1POLB
SCHEMBL5752743 0.72 PARP1 (0.40) HDAC11KDM4EALDH1A1GAA
SCHEMBL6478752 0.72 NOS1 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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 (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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 KIF11 824/4885AXL 591/4885NR3C1 2441/4885

“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.