SCHEMBL10095686

SCHEMBL10095686

CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
KDR P35968 3/20 0.47
MAPK14 Q16539 2/20 0.47
TNNI3K Q59H18 2/20 0.47
BRAF P15056 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIK2 Q13002 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
IDH2 P48735 2/20 0.43
NTRK1 P04629 1/20 0.42
MAPT P10636 4/20 0.42

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
SCHEMBL10249317 0.87 GSK3A (0.49) GSK3AGSK3BKDRMAPK14TNNI3K
SCHEMBL10095688 0.85 GRIK2 (0.45) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10095483 0.85 MAPT (0.47) KDRMEN1KMT2ALMNAHTT
SCHEMBL10095684 0.84 GRIK2 (0.46) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10191315 0.84 GRIK2 (0.44) MEN1KMT2ALMNASMN1; SMN2GRIK2
SCHEMBL10095681 0.84 GRIK2 (0.49) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10095685 0.82 GRIK2 (0.45) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10095682 0.82 GRIK2 (0.45) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL10191985 0.82 IMPDH2 (0.47) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL10095588 0.80 TP53 (0.45) KDRMEN1KMT2ALMNASMN1; SMN2

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 12 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-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-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-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-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 GSK3A 172/4885GSK3B 175/4885KDR 4816/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GSK3A 1223/4885GSK3B 1270/4885KDR 4817/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GSK3A 914/4885GSK3B 1032/4885KDR 4728/4885

“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.