SCHEMBL19702010

SCHEMBL19702010

CC(C)c1cccc(N2CC3CN(S(C)(=O)=O)CC3C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
PIK3CD O00329 2/20 0.43
HRH3 Q9Y5N1 1/20 0.39
CYP2C9 P11712 3/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
USP9X Q93008 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL19701981 0.82 ALDH1A1 (0.50) NOTUMHRH3CYP2C9USP2HPGD
SCHEMBL19702011 0.82 NOTUM (0.51) NOTUMHRH3GRM2USP9X
SCHEMBL19702015 0.81 NOTUM (0.50) NOTUMPIK3CDHRH3GRM2
SCHEMBL19710856 0.81 HTR7 (0.47) NOTUMCYP2C9USP2HPGDSMN1; SMN2
SCHEMBL19702012 0.79 NOTUM (0.55) NOTUMPIK3CDHRH3USP2HPGD
SCHEMBL19702014 0.79 NOTUM (0.49) NOTUMPIK3CDHRH3GRM2
SCHEMBL22055793 0.78 CYP2C9 (0.54) CYP2C9USP2HPGDSMN1; SMN2HSD17B10
SCHEMBL19702013 0.78 BPTF (0.57) NOTUMHRH3
SCHEMBL25752839 0.77 NOTUM (0.55) NOTUMHRH3HPGDSMN1; SMN2GRM2
SCHEMBL19702016 0.74 NOTUM (0.47) NOTUMPIK3CDHRH3HPGDSMN1; SMN2

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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 NOTUM 3221/4885PIK3CD 14/4885HRH3 61/4885

“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.