Sugi Predict

Sugi Predict / Compounds / SCHEMBL981395

SCHEMBL981395

SCHEMBL981395

CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB2 O60825 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ PFKFB1 P16118 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.42
▸ DOT1L Q8TEK3 1/20 0.42
▸ AS3MT Q9HBK9 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 4/20 0.39

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
SCHEMBL4791991 0.93 PFKFB2 (0.43) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL980655 0.90 EGLN2 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL982904 0.89 MTNR1B (0.46) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL12105784 0.89 PFKFB2 (0.50) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10193404 0.88 CYP1A2 (0.41) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096239 0.88 MAPK1 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL984456 0.88 PFKFB2 (0.41) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096339 0.87 ALDH1A1 (0.44) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096241 0.86 PFKFB2 (0.43) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096320 0.86 ALDH1A1 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L

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 48 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
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 PFKFB2 3865/4885NSD2 3927/4885PFKFB1 3840/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PFKFB2 4129/4885NSD2 3586/4885PFKFB1 4133/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885NSD2 3223/4885PFKFB1 4524/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885NSD2 3223/4885PFKFB1 4524/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS PFKFB2 4129/4885NSD2 3586/4885PFKFB1 4133/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB2 4202/4885NSD2 3529/4885PFKFB1 4102/4885

“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.