SCHEMBL972216

SCHEMBL972216

Cc1c(N2CCN(C)CC2)ccc(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.55
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
PTK2B Q14289 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAD52 P43351 1/20 0.49
HSD17B10 Q99714 1/20 0.47
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 1/20 0.44
HRH4 Q9H3N8 4/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
NCF1 P14598 2/20 0.40

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
SCHEMBL24620325 0.82 POLB (0.58) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL22471227 0.82 ALDH1A1 (0.58) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL30168889 0.80 LGMN (0.53) KDM4EMAPTGAAMAPK1HTT
SCHEMBL546488 0.80 LGMN (0.53) KDM4EMAPTGAAMAPK1HTT
SCHEMBL2894409 0.80 ALDH1A1 (0.60) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL22471212 0.79 ALDH1A1 (0.58) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL30464713 0.79 ALDH1A1 (0.58) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL15358684 0.78 MAPT (0.44) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL31172405 0.76 ADRA2C (0.72) ADRA2CKDM4EMAPTGAAPTK2B
SCHEMBL1509507 0.76 ADRA2C (0.72) ADRA2CKDM4EMAPTGAAPTK2B

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
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
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-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-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
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 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 (3 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 ADRA2C 3257/4885KDM4E 2636/4885MAPT 69/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 ADRA2C 3257/4885KDM4E 2636/4885MAPT 69/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 ADRA2C 3257/4885KDM4E 2636/4885MAPT 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.