SCHEMBL19701901

SCHEMBL19701901

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cncs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
GRM5 P41594 3/20 0.37
HSP90AA1 P07900 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TYRO3 Q06418 1/20 0.35

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
SCHEMBL19710931 0.82 PIK3CD (0.70) PIK3CDGRM5HSP90AA1ALDH1A1MAPT
SCHEMBL19710934 0.79 PIK3CD (0.65) PIK3CDGRM5HSP90AA1ALDH1A1MAPT
SCHEMBL19701899 0.75 PIK3CD (1.00) PIK3CDPKM
SCHEMBL19710881 0.75 PIK3CD (1.00) PIK3CDPKM
SCHEMBL19701902 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL19701904 0.73 PIK3CD (1.00) PIK3CDALDH1A1
SCHEMBL19701900 0.72 PIK3CD (1.00) PIK3CD
SCHEMBL19710932 0.72 PIK3CD (1.00) PIK3CD
SCHEMBL19701907 0.71 PIK3CD (1.00) PIK3CDTYRO3
SCHEMBL19701896 0.71 PIK3CD (1.00) PIK3CD

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 14/4885GRM5 2253/4885HSP90AA1 4187/4885

“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.