SCHEMBL806161

SCHEMBL806161

Cc1cc2[nH]cnc2c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
BRD4 O60885 1/20 0.40
PNP P00491 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDPK1 O15530 2/20 0.35
PRNP P04156 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3431668 0.80 NPSR1 (0.40) KMT2AMEN1BRD4PNPNPSR1
SCHEMBL11097769 0.72 MEN1 (0.59) KMT2AMEN1BRD4PNPHPGD
SCHEMBL23840126 0.70 NOS3 (0.39) KMT2AMEN1BRD4HPGDALDH1A1
SCHEMBL6581511 0.69 MEN1 (0.51) KMT2AMEN1BRD4PNPHPGD
SCHEMBL3859120 0.68 PARP1 (0.56) KMT2AMEN1BRD4PNPHPGD
SCHEMBL31460305 0.68 MEN1 (0.54) KMT2AMEN1BRD4PNPHPGD
SCHEMBL21733507 0.68 MEN1 (0.54) KMT2AMEN1BRD4PNPHPGD
SCHEMBL30834488 0.68 MEN1 (0.54) KMT2AMEN1BRD4PNPHPGD
SCHEMBL29697758 0.67 GRIA1 (0.46) KMT2AMEN1BRD4ALDH1A1KDM4E
SCHEMBL7846846 0.67 BRD4 (0.40) KMT2AMEN1BRD4NPSR1HPGD

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-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION SEIWERT SCOTT D (US) 2012-10-04 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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 (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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 KMT2A 3177/4885MEN1 4563/4885BRD4 199/4885
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF KMT2A 2360/4885MEN1 4762/4885BRD4 700/4885
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KMT2A 3200/4885MEN1 4428/4885BRD4 466/4885

“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.