SCHEMBL19701902

SCHEMBL19701902

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
RECQL P46063 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL19701896 0.85 PIK3CD (1.00) PIK3CD
SCHEMBL19711140 0.85 PIK3CD (1.00) PIK3CD
SCHEMBL19701907 0.85 PIK3CD (1.00) PIK3CDGAA
SCHEMBL19701904 0.84 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19710791 0.81 PIK3CD (0.68) PIK3CDGAANPC1CHRNB2CHRNB4
SCHEMBL19710792 0.77 PIK3CD (0.63) PIK3CDGAANPC1CHRNB2CHRNB4
SCHEMBL19701908 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL19710933 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL19701906 0.76 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19710597 0.74 PIK3CD (0.60) 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 14/4885GAA 4584/4885NPC1 3573/4885

“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.