SCHEMBL1763007

SCHEMBL1763007

CNCc1cc(-c2cccn(C)c2=O)n(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
HTR6 P50406 8/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PPME1 Q9Y570 3/20 0.34
APEH P13798 1/20 0.34
PARL Q9H300 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PLK1 P53350 1/20 0.33

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
Hydrochloric Acid SCHEMBL2411881 0.99 BRD4 (0.36) BRD4HTR6DRD2DRD3PPME1
SCHEMBL1763431 0.84 HTR6 (0.43) BRD4HTR6DRD2DRD3
Hydrochloric Acid SCHEMBL2407082 0.83 HTR6 (0.42) BRD4HTR6DRD2DRD3
SCHEMBL28642111 0.81 HTR6 (0.39) HTR6DRD2DRD3PARLCYP3A4
SCHEMBL2416543 0.81 KDM4E (0.38) HTR6
SCHEMBL1763037 0.81 HTR6 (0.37) BRD4HTR6DRD2DRD3PARL
Hydrochloric Acid SCHEMBL2409398 0.80 HTR6 (0.37) BRD4HTR6DRD2DRD3PARL
SCHEMBL1580766 0.80 HTR6 (0.43) HTR6DRD2DRD3PARLCYP3A4
Hydrochloric Acid SCHEMBL1156349 0.78 HTR6 (0.42) HTR6DRD2DRD3PARLCYP3A4
SCHEMBL1580456 0.77 MET (0.38) HTR6CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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 (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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 BRD4 4861/4885HTR6 1727/4885DRD2 2278/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 BRD4 4861/4885HTR6 1727/4885DRD2 2278/4885

“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.