SCHEMBL10095391

SCHEMBL10095391

CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
KIF11 P52732 4/20 0.33
GRM5 P41594 3/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TLR9 Q9NR96 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MDM4 O15151 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
PIK3CD O00329 1/20 0.31
DDR1 Q08345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.30
TDO2 P48775 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10095392 0.90 S1PR1 (0.38) S1PR1KIF11GRM5CTSKPTPN1
SCHEMBL10095393 0.87 S1PR1 (0.36) S1PR1KIF11CTSKPTPN1PTPN6
SCHEMBL10095414 0.87 S1PR1 (0.36) S1PR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL13153268 0.86 KIF11 (0.35) S1PR1KIF11GRM5MEN1KMT2A
SCHEMBL10095394 0.85 KDM4E (0.37) S1PR1KIF11MEN1KMT2AL3MBTL1
SCHEMBL10193373 0.84 MEN1 (0.34) MEN1KMT2ATLR9L3MBTL1MDM4
SCHEMBL2881494 0.83 APP (0.41) MEN1KMT2ATLR9L3MBTL1MDM4
SCHEMBL10095368 0.83 KDM4E (0.41) S1PR1KIF11MEN1KMT2AL3MBTL1
SCHEMBL10095402 0.82 GRM5 (0.43) S1PR1KIF11GRM5CTSK
SCHEMBL10095413 0.82 S1PR1 (0.38) S1PR1KIF11GRM5CTSKMEN1

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 S1PR1 2774/4885KIF11 3708/4885GRM5 2945/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS S1PR1 2195/4885KIF11 3319/4885GRM5 3175/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP S1PR1 2275/4885KIF11 3790/4885GRM5 3922/4885

“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.