SCHEMBL10097486

SCHEMBL10097486

CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.51
MAPK1 P28482 1/20 0.48
PIK3CA P42336 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
KDR P35968 1/20 0.45

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
SCHEMBL10097524 0.93 EPHX2 (0.52) EPHX2AURKAAURKBKDR
SCHEMBL10097512 0.92 EPHX2 (0.48) EPHX2AURKAAURKBKDR
SCHEMBL10097510 0.92 EPHX2 (0.49) EPHX2AURKAAURKBKDR
SCHEMBL10097697 0.92 EPHX2 (0.53) EPHX2
SCHEMBL10097527 0.90 EPHX2 (0.48) EPHX2KDR
SCHEMBL10097478 0.89 EPHX2 (0.47) EPHX2MAPK1AURKAAURKBKDR
SCHEMBL10097487 0.89 POLB (0.48) EPHX2KDR
SCHEMBL10096408 0.88 EPHX2 (0.49) EPHX2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL10097633 0.88 EPHX2 (0.47) EPHX2KDR
SCHEMBL10097551 0.88 EPHX2 (0.46) EPHX2KDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (4 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 EPHX2 745/4885MAPK1 4616/4885PIK3CA 2171/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885MAPK1 4248/4885PIK3CA 3705/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885MAPK1 4248/4885PIK3CA 3705/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP EPHX2 2880/4885MAPK1 3869/4885PIK3CA 3367/4885

“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.