SCHEMBL10097656

SCHEMBL10097656

CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 6/20 0.48
PFKFB1 P16118 6/20 0.48
PFKFB3 Q16875 6/20 0.48
AS3MT Q9HBK9 5/20 0.48
NSD2 O96028 3/20 0.48
DOT1L Q8TEK3 2/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RORC P51449 2/20 0.38

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
SCHEMBL13152055 0.94 MTNR1A (0.46) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL13153378 0.93 NPC1 (0.42) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10097607 0.92 MTNR1A (0.46) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL13152174 0.89 L3MBTL1 (0.42) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10097782 0.89 L3MBTL1 (0.42) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL13152172 0.89 MAPT (0.44) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10095377 0.88 PFKFB2 (0.55) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10249955 0.87 MTNR1A (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10256083 0.86 KMT2A (0.50) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10097294 0.85 MAPT (0.41) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (2 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-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.