SCHEMBL19701948

SCHEMBL19701948

COc1cc(C(C)C)cc(N2[C@H](C)CN(C(C)=O)C[C@@H]2C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
CPS1 P31327 10/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MCHR1 Q99705 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL19701947 0.83 PIK3CD (0.38) PIK3CDKDM4ENOTUMMMP2ADAMTS5
SCHEMBL19710622 0.83 PIK3CD (0.42) PIK3CDCPS1
SCHEMBL19690312 0.82 PIK3CD (0.41) PIK3CDCPS1
SCHEMBL19701945 0.82 PIK3CD (0.39) PIK3CDNOTUMMMP2ADAMTS5
SCHEMBL19690311 0.82 PIK3CD (0.41) PIK3CDCPS1
SCHEMBL19701944 0.80 NOTUM (0.52) PIK3CDKDM4ENOTUMHPGD
SCHEMBL19701943 0.80 PIK3CD (0.40) PIK3CDCPS1KDM4ENOTUM
SCHEMBL19703395 0.76 PIK3CD (0.48) PIK3CDNOTUMMMP2ADAMTS5
SCHEMBL19710817 0.71 NPSR1 (0.41) PIK3CDNOTUMMMP2ADAMTS5HPGD
SCHEMBL23089808 0.71 CPS1 (0.44) CPS1ADAMTS5

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 14/4885CPS1 4049/4885KDM4E 2233/4885

“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.