SCHEMBL14768634

SCHEMBL14768634

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2A13 Q16696 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDM1A O60341 2/20 0.34
CHRNA7 P36544 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
SCHEMBL14768596 0.92 L3MBTL1 (0.38) ADORA1CYP2A13DRD2DRD4DRD3
SCHEMBL14768601 0.90 USP2 (0.34) ADORA2AADORA1SLC6A4HRH3DRD2
SCHEMBL14768619 0.88 CHRNA7 (0.43) HRH3DRD2DRD4DRD3KDM1A
SCHEMBL14768592 0.86 CYP2A13 (0.40) ADORA2AADORA1SLC6A4HRH3CYP2A13
SCHEMBL14768590 0.85 ACHE (0.41) HRH3DRD2DRD4DRD3KDM1A
SCHEMBL14768599 0.84 KMT2A (0.41) DRD2DRD4DRD3KDM1ACHRNA7
SCHEMBL14768607 0.81 CHRNA7 (0.39) HRH3DRD2DRD4DRD3CHRNA7
SCHEMBL15334540 0.80 AR (0.33)
SCHEMBL14039265 0.79 SLC6A4 (0.42) SLC6A4HRH3KDM1A
SCHEMBL14768623 0.79 CYP2A13 (0.40) ADORA2AADORA1SLC6A4HRH3CYP2A13

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 ADORA2A 1332/4885ADORA1 1184/4885SLC6A4 1650/4885
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ADORA2A 1332/4885ADORA1 1184/4885SLC6A4 1650/4885
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ADORA2A 1332/4885ADORA1 1184/4885SLC6A4 1650/4885

“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.