SCHEMBL631939

SCHEMBL631939

Cc1ccnc(NCc2cnc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
ADRA2C P18825 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
ADRA1A P35348 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL632084 0.76 ALDH1A1 (0.51) MEN1KMT2AADRA2CTAAR1ADRA1A
SCHEMBL10228647 0.75 TAAR1 (0.67) ADRA2CTAAR1ADRA1AADRA1DADRA1B
SCHEMBL10226960 0.75 ADRA2C (0.52) ADRA2CTAAR1ADRA1AADRA1DADRA1B
SCHEMBL631585 0.73 TAAR1 (0.52) ADRA2CTAAR1ADRA1AADRA1DADRA1B
SCHEMBL15830494 0.73 NOS2 (0.76) NOS2MEN1KMT2APOLBADRA2C
SCHEMBL16220824 0.72 NOS2 (0.72) NOS2MEN1KMT2APOLB
SCHEMBL3175243 0.70 NOS2 (1.00) NOS2MEN1KMT2APOLB
SCHEMBL827847 0.70 NOS2 (0.61) NOS2MEN1KMT2APOLB
SCHEMBL631927 0.68 TAAR1 (0.49) ADRA2CTAAR1ADRA1AADRA1DADRA1B
SCHEMBL15830499 0.68 NOS2 (0.67) NOS2MEN1KMT2APOLB

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 NOS2 588/4885MEN1 941/4885KMT2A 282/4885

“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.