SCHEMBL10095322

SCHEMBL10095322

CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 4/20 0.47
PFKFB1 P16118 4/20 0.47
PFKFB3 Q16875 4/20 0.47
NSD2 O96028 2/20 0.47
AS3MT Q9HBK9 2/20 0.47
DOT1L Q8TEK3 1/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
RORC P51449 7/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KCNA5 P22460 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 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
SCHEMBL10095377 0.94 PFKFB2 (0.55) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095349 0.93 PFKFB2 (0.46) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095431 0.93 PFKFB2 (0.56) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL982903 0.91 PFKFB1 (0.44) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095405 0.90 MCHR1 (0.47) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095378 0.89 RORC (0.46) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL984224 0.89 MTNR1A (0.45) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095367 0.89 MAPT (0.43) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL10095382 0.87 RORC (0.45) PFKFB2PFKFB1PFKFB3NSD2AS3MT
SCHEMBL13152055 0.87 MTNR1A (0.46) PFKFB2PFKFB1PFKFB3NSD2AS3MT

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 8 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
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 PFKFB2 3890/4885PFKFB1 3870/4885PFKFB3 3739/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PFKFB2 4129/4885PFKFB1 4133/4885PFKFB3 4055/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB2 4202/4885PFKFB1 4102/4885PFKFB3 4231/4885

“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.