SCHEMBL632235

SCHEMBL632235

Clc1cc(Cl)nc(NCc2c[nH]cn2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 2/20 0.33
PAK4 O96013 2/20 0.33
FLT3 P36888 2/20 0.33
GSK3B P49841 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
JAK3 P52333 2/20 0.33
CDK5 Q00535 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 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
SCHEMBL632224 0.77 ALDH1A1 (0.39) CYP2C19
SCHEMBL632032 0.74 MAPT (0.44) ROCK2CYP2D6CYP2C19
SCHEMBL631355 0.73 MAPT (0.44)
SCHEMBL22191062 0.73 HDAC3 (0.30)
SCHEMBL10884796 0.72 ADRA2A (0.37) CYP2D6CYP2C19
SCHEMBL10885062 0.72 KMT2A (0.44) CYP2C19
SCHEMBL10888100 0.72 SMN1; SMN2 (0.43) CYP2C19
SCHEMBL631864 0.72 KDM4E (0.47) ROCK2CYP2C19
SCHEMBL632231 0.71 ALDH1A1 (0.38) BTKNTRK3NTRK2CYP2C19
SCHEMBL632276 0.70 SMN1; SMN2 (0.52) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R DAPK3 2057/4885PAK4 518/4885FLT3 1863/4885

“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.