SCHEMBL12995472

SCHEMBL12995472

Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
EPHX2 P34913 7/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CXCR3 P49682 1/20 0.35
EPHX1 P07099 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL12995463 0.89 GRM5 (0.39) EPHX2NPC1RAB9AFAAHAURKA
SCHEMBL12995201 0.88 GSK3B (0.42) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12995474 0.88 EPHX2 (0.39) EPHX2NPC1RAB9AFAAHAURKA
SCHEMBL12995471 0.87 AURKA (0.38) EPHX2NPC1RAB9AFAAHAURKA
SCHEMBL10096164 0.87 RAB9A (0.47) GSK3BDYRK1AEPHX2NPC1RAB9A
SCHEMBL12995321 0.87 GSK3B (0.41) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12995465 0.87 EPHX2 (0.37) EPHX2NPC1RAB9AFAAHAURKA
SCHEMBL12995449 0.86 AURKA (0.39) GSK3BDYRK1AEPHX2NPC1RAB9A
SCHEMBL12995426 0.86 EPHX2 (0.39) EPHX2NPC1RAB9AFAAHAURKA
SCHEMBL12995451 0.86 EPHX2 (0.39) EPHX2NPC1RAB9AFAAHAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GSK3B 846/4885DYRK1A 4875/4885EPHX2 2630/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GSK3B 846/4885DYRK1A 4875/4885EPHX2 2630/4885

“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.