SCHEMBL984842

SCHEMBL984842

CCn1cc(C#N)c2ccc(Oc3cnccn3)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 9/20 0.42
PFKFB1 P16118 7/20 0.42
PFKFB2 O60825 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP19A1 P11511 2/20 0.37
GCK P35557 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL14205635 0.83 LTA4H (0.39) LTA4HPTGS2SMN1; SMN2KDM4EGCK
SCHEMBL13152550 0.83 LTA4H (0.39) LTA4HPTGS2SMN1; SMN2KDM4EGCK
SCHEMBL10192258 0.83 L3MBTL1 (0.41) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL981609 0.78 L3MBTL1 (0.45) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL980087 0.77 MEN1 (0.47) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL10095263 0.76 L3MBTL1 (0.51) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL981244 0.73 PFKFB3 (0.43) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL10095243 0.73 PFKFB3 (0.46) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL981751 0.72 PFKFB3 (0.45) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA
SCHEMBL982613 0.72 PFKFB3 (0.43) PFKFB3PFKFB1PFKFB2L3MBTL1LMNA

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 47 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
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US 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
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 (7 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB3 4457/4885PFKFB1 4524/4885PFKFB2 4493/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PFKFB3 3779/4885PFKFB1 3840/4885PFKFB2 3865/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PFKFB3 4055/4885PFKFB1 4133/4885PFKFB2 4129/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB3 4457/4885PFKFB1 4524/4885PFKFB2 4493/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB3 4457/4885PFKFB1 4524/4885PFKFB2 4493/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS PFKFB3 4055/4885PFKFB1 4133/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB3 4231/4885PFKFB1 4102/4885PFKFB2 4202/4885

“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.