SCHEMBL972890

SCHEMBL972890

CNc1cc(-n2ccnc2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 2/20 0.47
IDO1 P14902 2/20 0.45
ENPP2 Q13822 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NOTUM Q6P988 1/20 0.45
CYP3A4 P08684 2/20 0.43
HTT P42858 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDE2A O00408 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL3490259 0.80 LMNA (0.63) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL993223 0.79 LMNA (0.58) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL14259451 0.76 LMNA (0.58) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL29495237 0.76 LMNA (0.58) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL1449607 0.76 LMNA (0.58) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL6259515 0.76 LMNA (0.58) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL12586939 0.75 CYP11B1 (0.57) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL10574531 0.74 MAPT (0.60) LMNAMAPTCYP11B1CYP11B2CYP19A1
SCHEMBL27671178 0.73 LMNA (0.54) HDAC1LMNAMAPTCYP11B1CYP11B2
SCHEMBL1067658 0.73 HDAC1 (0.67) HDAC1LMNACYP11B1CYP11B2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US 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-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 HDAC1 1089/4885LMNA 3697/4885MAPT 69/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 HDAC1 1089/4885LMNA 3697/4885MAPT 69/4885

“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.