SCHEMBL981468

SCHEMBL981468

CCOc1ccc(-c2c(C#N)c3ccc(N)cc3n2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
AS3MT Q9HBK9 2/20 0.37
TERT O14746 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
PFKFB2 O60825 1/20 0.37
NSD2 O96028 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37
DOT1L Q8TEK3 1/20 0.37

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
SCHEMBL982919 0.93 TDP1 (0.41) TDP1TSHRGRIK2GRIK1PDE3A
SCHEMBL10193531 0.88 GRIK2 (0.44) TSHRGRIK2GRIK1PDE3AMEN1
SCHEMBL10095297 0.87 GRIK2 (0.52) TDP1GRIK2GRIK1MEN1KMT2A
SCHEMBL980442 0.86 GRIK2 (0.43) TSHRGRIK2GRIK1PDE3AMEN1
SCHEMBL14466683 0.86 GRIK2 (0.40) TSHRGRIK2GRIK1PDE3AMEN1
SCHEMBL980710 0.85 GRIK2 (0.52) TDP1GRIK2GRIK1MEN1KMT2A
SCHEMBL13152317 0.84 TDP1 (0.46) TDP1TSHRGRIK2GRIK1MEN1
SCHEMBL10193528 0.83 KDM4E (0.39) GRIK2GRIK1PDE3AAS3MTPFKFB2
SCHEMBL12950290 0.83 KDM4E (0.39) GRIK2GRIK1PDE3AAS3MTPFKFB2
SCHEMBL12109545 0.83 MAPT (0.40) GRIK2GRIK1LMNAALDH1A1ESR1

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 53 patents — showing the first 20. 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
CN-101027051-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2007-08-29 CN disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 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 (6 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS TDP1 4303/4885TSHR 4465/4885GRIK2 3701/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS TDP1 3708/4885TSHR 4324/4885GRIK2 4399/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TDP1 4578/4885TSHR 4161/4885GRIK2 2948/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TDP1 4578/4885TSHR 4161/4885GRIK2 2948/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS TDP1 3708/4885TSHR 4324/4885GRIK2 4399/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP TDP1 3821/4885TSHR 4239/4885GRIK2 4491/4885

“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.