SCHEMBL19701904

SCHEMBL19701904

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL19701902 0.84 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19701896 0.84 PIK3CD (1.00) PIK3CD
SCHEMBL19711140 0.84 PIK3CD (1.00) PIK3CD
SCHEMBL19701907 0.83 PIK3CD (1.00) PIK3CD
SCHEMBL19711142 0.83 PIK3CD (0.70) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19711143 0.80 PIK3CD (0.66) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10737933 0.79 PIK3CD (0.65) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30037451 0.79 PIK3CD (0.65) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10737940 0.79 PIK3CD (0.65) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23792394 0.78 PIK3CD (0.63) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7

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 14/4885CHRNB2 2984/4885CHRNB4 2737/4885

“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.