SCHEMBL632034

SCHEMBL632034

FC(F)(F)Oc1ccc(NCc2c[nH]cn2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
ERBB3 P21860 3/20 0.37
ERBB4 Q15303 3/20 0.37
S1PR2 O95136 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
PGK1 P00558 1/20 0.36
SLC1A5 Q15758 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMO O15229 2/20 0.35
IDH1 O75874 1/20 0.34

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
SCHEMBL632607 0.84 MAPT (0.51) ALDH1A1MAPT
SCHEMBL631355 0.80 MAPT (0.44) ALDH1A1MAPT
SCHEMBL632276 0.79 SMN1; SMN2 (0.52) EGFRALDH1A1MAPT
SCHEMBL632373 0.79 HTT (0.48) MAPT
Hydrochloric Acid SCHEMBL30345121 0.77 RORC (0.39) EGFRERBB2ERBB3ERBB4S1PR2
SCHEMBL32684924 0.77 CYP1A2 (0.38) S100A9
SCHEMBL632743 0.77 MAPT (0.41) ALDH1A1MAPT
SCHEMBL632273 0.77 MAPT (0.41) ALDH1A1MAPT
SCHEMBL8217003 0.77 TAAR1 (0.49) EGFR
SCHEMBL632701 0.76 UTS2R (0.43) ALDH1A1MAPTIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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 S100A9 3501/4885EGFR 2975/4885ERBB2 2578/4885

“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.