SCHEMBL633409

SCHEMBL633409

COc1cc(NCc2cnc[nH]2)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.53
EGFR P00533 2/20 0.53
TAAR1 Q96RJ0 1/20 0.51
HRH3 Q9Y5N1 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL8211561 0.84 TAAR1 (0.51) MAP3K8EGFRTAAR1HRH3
SCHEMBL8213480 0.83 TAAR1 (0.59) MAP3K8EGFRTAAR1HRH3MAPK13
SCHEMBL8212391 0.83 PIP4K2A (0.54) MAP3K8EGFRTAAR1
SCHEMBL632259 0.83 TAAR1 (0.57) MAP3K8TAAR1HRH3
SCHEMBL631693 0.80 TAAR1 (0.55) MAP3K8EGFRTAAR1HRH3MAPK13
SCHEMBL8212500 0.80 MAP3K8 (0.62) MAP3K8EGFRTAAR1MAPK13MAPK12
SCHEMBL10229127 0.77 TAAR1 (0.55) MAP3K8EGFRTAAR1HRH3
SCHEMBL8212676 0.77 TAAR1 (0.55) MAP3K8EGFRTAAR1MAPK13MAPK12
SCHEMBL631852 0.76 TAAR1 (0.61) TAAR1
SCHEMBL8211595 0.75 TAAR1 (0.70) TAAR1HRH3

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 10 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
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-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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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
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 MAP3K8 2996/4885EGFR 2975/4885TAAR1 419/4885

“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.