SCHEMBL1805147

SCHEMBL1805147

NC(=O)c1sc(C(=O)NCc2ncc[nH]2)nc1Cc1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
FPR2 P25090 1/20 0.39
SLC40A1 Q9NP59 1/20 0.37
NTRK1 P04629 1/20 0.35
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ROCK2 O75116 1/20 0.34
JAK2 O60674 1/20 0.34
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK3 P52333 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL1808902 0.75 ADORA2A (0.44) ADORA2AADORA2BADORA3ADORA1FPR2
SCHEMBL1807964 0.71 TAAR1 (0.46) FPR2KLK1KLK5GAASMN1; SMN2
SCHEMBL1258259 0.70 FPR2 (0.54) ADORA2AADORA2BADORA3ADORA1FPR2
SCHEMBL1811127 0.70 TAAR1 (0.44) FPR2KLK1KLK5GAASMN1; SMN2
SCHEMBL1810035 0.66 TAAR1 (0.39) FPR2KLK1KLK5GAASMN1; SMN2
SCHEMBL1806772 0.66 ALOX15 (0.38) FPR2GAASMN1; SMN2JAK3TAAR1
SCHEMBL6451096 0.66 FPR2 (0.55) ADORA2AADORA2BADORA3ADORA1FPR2
SCHEMBL12459652 0.65 ROCK2 (0.52) ADORA2AADORA2BADORA3ADORA1FPR2
SCHEMBL13870726 0.65 FPR2 (0.58) ADORA2AADORA2BADORA3ADORA1FPR2
SCHEMBL31188529 0.65 GAA (0.60) FPR2ROCK2GAASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 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 (1 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 ADORA2A 294/4885ADORA2B 286/4885ADORA3 212/4885

“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.