SCHEMBL6488916

SCHEMBL6488916

Clc1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.46
SRC P12931 2/20 0.40
RET P07949 1/20 0.40
ABL1 P00519 1/20 0.40
NOS1 P29475 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CNR2 P34972 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FLT3 P36888 2/20 0.35
RARG P13631 1/20 0.35
PSMB8 P28062 1/20 0.34
ITK Q08881 2/20 0.33
GAA P10253 1/20 0.33

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) DAOHRH4FLT3ITK
SCHEMBL6479227 0.81 HRH4 (0.38) DAOHRH4ITK
SCHEMBL6487991 0.81 ITK (0.50) NOS1HRH4FLT3ITK
SCHEMBL6488203 0.81 DAO (0.46) DAOSRCABL1PDE3BPDE3A
SCHEMBL5802435 0.81 HRH4 (0.37) SRCRETABL1HRH4ITK
SCHEMBL6480513 0.78 MAP2K1 (0.37) ITK
SCHEMBL6480649 0.78 KIF11 (0.42) ITKGAA
SCHEMBL5755265 0.77 PBRM1 (0.40) HRH4ITKGAA
SCHEMBL5752743 0.76 PARP1 (0.40) GAA
SCHEMBL6478752 0.76 NOS1 (0.44) NOS1HRH4GAA

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 DAO 2147/4885SRC 79/4885RET 462/4885

“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.