SCHEMBL631848

SCHEMBL631848

c1cc(NCc2c[nH]cn2)cc(C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
HTR2C P28335 2/20 0.34
BRAF P15056 3/20 0.34
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALOX12 P18054 1/20 0.32
AKT1 P31749 2/20 0.32
NOTUM Q6P988 1/20 0.32
KDR P35968 1/20 0.31
BTK Q06187 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL631816 0.83 HRH3 (0.39) MAOAMAOBALOX12
SCHEMBL30034533 0.77 KMT2A (0.48) HDAC4MEF2DALOX12GAA
SCHEMBL631864 0.77 KDM4E (0.47) MAOBGAA
SCHEMBL631554 0.76 MAOA (0.55) MAOAMAOB
Hydrochloric Acid SCHEMBL631888 0.75 MAOA (0.53) MAOAMAOB
SCHEMBL632066 0.74 HDAC4 (0.43) HDAC4MEF2DGAA
SCHEMBL632495 0.73 ALDH1A1 (0.36) MAOAMAOBGAA
SCHEMBL8216879 0.73 TAAR1 (0.60)
SCHEMBL632664 0.71 BCDIN3D (0.37) PRKCIHTR2CNOTUM
SCHEMBL632665 0.71 HTR7 (0.35) HTR2C

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 PRKCI 2833/4885HTR2C 26/4885BRAF 2675/4885

“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.