SCHEMBL4605903

SCHEMBL4605903

Cc1ccc2nc[nH]c2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAD52 P43351 1/20 0.40
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
PARP1 P09874 3/20 0.37
LMNA P02545 2/20 0.36
MAP3K5 Q99683 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACP1 P24666 1/20 0.35
DRD3 P35462 1/20 0.34
PI4KA P42356 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
SCHEMBL31455565 0.79 PRKCI (0.44) MAPTPRKCIKDM4EMEN1KMT2A
SCHEMBL29503821 0.79 PARP1 (0.39) MAPTPRKCIKDM4ERAD52PARP1
SCHEMBL3156088 0.79 PARP1 (0.39) MAPTPRKCIKDM4ERAD52PARP1
SCHEMBL12121765 0.78 PARP1 (0.38) MAPTPRKCIKDM4ERAD52PARP1
SCHEMBL4908126 0.76 CSNK2A1 (0.37) MAPTPRKCIKDM4EPARP1LMNA
SCHEMBL6581871 0.76 PRKCI (0.41) MAPTPRKCIKDM4EMEN1KMT2A
SCHEMBL21917174 0.76 RAB9A (0.41) MAPTPRKCIKDM4EMEN1KMT2A
SCHEMBL3156083 0.76 PARP1 (0.37) MAPTPRKCIKDM4ERAD52PARP1
SCHEMBL1374558 0.75 PRKCI (0.44) MAPTPRKCIKDM4EMEN1KMT2A
SCHEMBL11489074 0.74 PARP1 (0.60) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943229-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (2 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 MAPT 468/4885PRKCI 1950/4885KDM4E 4614/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B MAPT 1004/4885PRKCI 2178/4885KDM4E 4097/4885

“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.