SCHEMBL19701907

SCHEMBL19701907

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
HCAR2 Q8TDS4 1/20 0.38
GAA P10253 1/20 0.38
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ACACB O00763 1/20 0.33
CBLB Q13191 2/20 0.33

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
SCHEMBL19701902 0.85 PIK3CD (1.00) PIK3CDGAA
SCHEMBL19701904 0.83 PIK3CD (1.00) PIK3CD
SCHEMBL19710880 0.82 PIK3CD (0.70) PIK3CDHCAR2GAACBLB
SCHEMBL19711140 0.79 PIK3CD (1.00) PIK3CD
SCHEMBL19701896 0.79 PIK3CD (1.00) PIK3CD
SCHEMBL19710882 0.79 PIK3CD (0.65) PIK3CDHCAR2GAAAXLFLT3
SCHEMBL19701908 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL19710933 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL19701906 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL19701901 0.71 PIK3CD (1.00) PIK3CDTYRO3

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 14/4885HCAR2 916/4885GAA 4584/4885

“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.