SCHEMBL14768601

SCHEMBL14768601

Cc1cc(Sc2ccc(C#N)cc2CN2CCSCC2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRHR1 P34998 2/20 0.33
SLC6A4 P31645 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ELANE P08246 1/20 0.33
GRM2 Q14416 1/20 0.33
TACR1 P25103 1/20 0.32
ACHE P22303 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL14768634 0.90 ADORA2A (0.35) SLC6A4HRH3DRD2DRD4DRD3
SCHEMBL14768626 0.88 ELANE (0.42) USP2CYP2D6SMN1; SMN2SLC6A4HRH3
SCHEMBL14768628 0.87 LMNA (0.40) USP2CYP2D6SMN1; SMN2ELANEGRM2
SCHEMBL14768596 0.85 L3MBTL1 (0.38) SMN1; SMN2DRD2DRD4DRD3ADORA1
SCHEMBL15334533 0.83 DDR1 (0.31)
SCHEMBL14768619 0.79 CHRNA7 (0.43) HRH3DRD2DRD4DRD3
SCHEMBL14768592 0.77 CYP2A13 (0.40) SLC6A4HRH3DRD2DRD4DRD3
SCHEMBL14768590 0.76 ACHE (0.41) SMN1; SMN2HRH3ACHEDRD2DRD4
SCHEMBL14768599 0.75 KMT2A (0.41) SMN1; SMN2DRD2DRD4DRD3
SCHEMBL14768607 0.74 CHRNA7 (0.39) SMN1; SMN2HRH3DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9187425-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-8563544-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 USP2 1284/4885CYP2D6 2157/4885SMN1; SMN2 603/4885
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 USP2 1284/4885CYP2D6 2157/4885SMN1; SMN2 603/4885
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 USP2 1284/4885CYP2D6 2157/4885SMN1; SMN2 603/4885

“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.