SCHEMBL10095421

SCHEMBL10095421

CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
AS3MT Q9HBK9 4/20 0.44
PFKFB2 O60825 2/20 0.44
PFKFB1 P16118 2/20 0.44
PFKFB3 Q16875 2/20 0.44
NSD2 O96028 1/20 0.44
DOT1L Q8TEK3 1/20 0.44
GRIK2 Q13002 2/20 0.44
GRIK1 P39086 1/20 0.44
PTGER4 P35408 1/20 0.41
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10095397 0.93 GRIK2 (0.50) APPAS3MTPFKFB2PFKFB1PFKFB3
SCHEMBL980525 0.91 APP (0.46) APPAS3MTPFKFB2PFKFB1PFKFB3
SCHEMBL10192312 0.90 GRIK2 (0.44) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095409 0.86 GRIK2 (0.41) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095291 0.84 L3MBTL1 (0.46) APPGRIK2GRIK1PTGER4KDM4E
SCHEMBL10095422 0.83 PFKFB2 (0.52) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095431 0.82 PFKFB2 (0.56) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL13152032 0.81 GRIK2 (0.49) APPGRIK2GRIK1PTGER4HTR6
SCHEMBL10095361 0.81 MAPT (0.44) GRIK2GRIK1PTGER4KDM4EPOLB
SCHEMBL10095295 0.81 KDM4E (0.44) GRIK2GRIK1PTGER4KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 APP 4569/4885AS3MT 620/4885PFKFB2 3890/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS APP 4711/4885AS3MT 785/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP APP 4588/4885AS3MT 2197/4885PFKFB2 4202/4885

“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.