SCHEMBL19701908

SCHEMBL19701908

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnn1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL19710933 1.00 PIK3CD (1.00) PIK3CDKDM4EPKMALDH1A1KMT2A
SCHEMBL19710930 0.82 PIK3CD (0.70) PIK3CDKDM4EPKMALDH1A1KMT2A
SCHEMBL22055736 0.79 PIK3CD (0.65) PIK3CDKDM4EPKMALDH1A1KMT2A
SCHEMBL19701902 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL19701907 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL19711140 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL19701896 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL19701904 0.73 PIK3CD (1.00) PIK3CDALDH1A1KMT2A
SCHEMBL19701900 0.72 PIK3CD (1.00) PIK3CD
SCHEMBL19710932 0.72 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 14/4885KDM4E 2233/4885PKM 2814/4885

“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.