SCHEMBL19701984

SCHEMBL19701984

CC(C)c1cccc(N2CCOC(C)(C)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ NOTUM Q6P988 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ HPGD P15428 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
SCHEMBL22055777 0.82 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGDRD2DRD3
SCHEMBL19280304 0.81 ALDH1A1 (0.58) PIK3CDPIK3CAPIK3CGALDH1A1HSD11B1
SCHEMBL22055778 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGKCNH2ALDH1A1
SCHEMBL12545834 0.77 DRD2 (0.46) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL19702000 0.77 DRD2 (0.49) PIK3CDDRD2DRD3KCNH2NOTUM
SCHEMBL19701996 0.77 DRD2 (0.44) PIK3CDDRD2DRD3KCNH2NOTUM
SCHEMBL19701994 0.75 PIK3CD (0.50) PIK3CD
SCHEMBL10224168 0.75 DRD2 (0.47) PIK3CDPIK3CAPIK3CGDRD2DRD3
SCHEMBL19710696 0.74 DRD2 (0.44) PIK3CDDRD2DRD3KCNH2NOTUM
SCHEMBL27405114 0.72 NOTUM (0.44) PIK3CDPIK3CAPIK3CGDRD2DRD3

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 PIK3CD 14/4885PIK3CA 18/4885PIK3CG 22/4885

“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.

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