SCHEMBL2999443

SCHEMBL2999443

COC(=O)c1ccc2[nH]cc(CC#N)c2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.65
CSNK2A1 P68400 2/20 0.55
NPC1 O15118 2/20 0.54
HTR7 P34969 2/20 0.47
HTR6 P50406 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
RAB9A P51151 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
CDK2 P24941 1/20 0.46
POLB P06746 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL29871648 0.85 GPR84 (0.87) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL22554662 0.85 GPR84 (0.73) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL10566282 0.83 HTR7 (0.63) GPR84CSNK2A1NPC1HTR7HTR6
SCHEMBL2161423 0.83 GPR84 (0.76) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL2161735 0.82 GPR84 (0.70) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL3974212 0.81 NPC1 (0.80) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL12844152 0.81 GPR84 (0.68) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL8528962 0.81 GPR84 (0.68) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL31571584 0.81 GPR84 (0.68) GPR84NPC1HTR7HTR6KMT2A
SCHEMBL27142546 0.81 GPR84 (0.68) GPR84NPC1HTR7HTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
WO-2013026162-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-4795756-A VASOCONSTRICTOR FOR MIGRAINE HEADACHE GLAXO GROUP LIMITED (GB) 1989-01-03 US disclosed
EP-0244085-A2 3-(2-Aminoethyl)indole derivatives GLAXO GROUP LIMITED (GB) 1987-11-04 EP 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885CSNK2A1 64/4885NPC1 4214/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885CSNK2A1 64/4885NPC1 4214/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 GPR84 1765/4885CSNK2A1 1968/4885NPC1 258/4885

“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.