SCHEMBL632963

SCHEMBL632963

COc1cc(C(N)Cc2c[nH]cn2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
MAPK1 P28482 4/20 0.35
RXRA P19793 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL632202 0.84 PNMT (0.35) GRIN1GRIN2BCYP2D6
SCHEMBL633346 0.81 DPP4 (0.33) MAPK1GRIN1GRIN2BCYP2C19CYP2C9
SCHEMBL632706 0.78 DPP4 (0.36) MAPK1GRIN1GRIN2BCYP2D6
SCHEMBL3176867 0.75 DYRK1A (0.39) DYRK1AMAPK1RXRAGRIN1GRIN2B
SCHEMBL22051080 0.74 ALDH1A1 (0.39) ALDH1A1NFKB1BLMPMP22
SCHEMBL631846 0.74 GRIN2D (0.33) GRIN1GRIN2B
SCHEMBL632482 0.73 DPP4 (0.37) GRIN1GRIN2B
SCHEMBL7161306 0.73 ACHE (0.38) DYRK1AMAPK1NFKB1MEN1KMT2A
SCHEMBL1534371 0.72 TAAR1 (0.44) DYRK1AMAPK1CYP2C19ALDH1A1MAPT
SCHEMBL632701 0.72 UTS2R (0.43) CYP2C19ALDH1A1MAPTMEN1CYP2C9

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 DYRK1A 1920/4885MAPK1 3382/4885RXRA 3446/4885

“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.