SCHEMBL10192523

SCHEMBL10192523

CCn1c(-c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
MTNR1B P49286 3/20 0.46
PFKFB2 O60825 2/20 0.46
PFKFB1 P16118 2/20 0.46
PFKFB3 Q16875 2/20 0.46
NSD2 O96028 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
AS3MT Q9HBK9 1/20 0.46
MAPT P10636 3/20 0.45
GRIK2 Q13002 2/20 0.44
NTRK1 P04629 3/20 0.44
NTRK2 Q16620 3/20 0.44
MTNR1A P48039 2/20 0.44
CSF1R P07333 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL12923068 0.93 GRIK2 (0.46) METKDRPFKFB2PFKFB1PFKFB3
SCHEMBL10095577 0.93 NTRK1 (0.47) METKDRMTNR1BPFKFB2PFKFB1
SCHEMBL12334867 0.90 GRIK2 (0.46) METKDRPFKFB2PFKFB1PFKFB3
SCHEMBL13152579 0.88 PFKFB2 (0.44) METKDRPFKFB2PFKFB1PFKFB3
SCHEMBL10095624 0.87 MEN1 (0.50) METKDRPFKFB2PFKFB1PFKFB3
SCHEMBL10095623 0.87 FPR2 (0.51) METKDRMTNR1BMAPTNTRK1
SCHEMBL982759 0.87 GRIK2 (0.46) MTNR1BPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095950 0.86 SMN1; SMN2 (0.53) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095559 0.86 TRPV1 (0.48) MAPTGRIK2KDM4EMEN1LMNA
SCHEMBL10191236 0.86 GRIK2 (0.45) PFKFB2PFKFB1PFKFB3NSD2DOT1L

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-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 MET 1819/4885KDR 4816/4885MTNR1B 269/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MET 1782/4885KDR 4817/4885MTNR1B 489/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MET 1695/4885KDR 4728/4885MTNR1B 827/4885

“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.