SCHEMBL19701906

SCHEMBL19701906

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 1.00
PLA2G7 Q13093 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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 0.84 PIK3CD (1.00) PIK3CDCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19711140 0.84 PIK3CD (1.00) PIK3CDCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19710599 0.83 PIK3CD (0.70) PIK3CDPLA2G7SMN1; SMN2CYP3A4CYP2C9
SCHEMBL19710601 0.80 PIK3CD (0.66) PIK3CDPLA2G7SMN1; SMN2CYP3A4CYP2C9
SCHEMBL26239989 0.78 PIK3CD (0.63) PIK3CDPLA2G7SMN1; SMN2CYP3A4TSHR
SCHEMBL19701904 0.77 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3889887 0.76 PIK3CD (0.60) PIK3CDPLA2G7SMN1; SMN2
SCHEMBL19701902 0.76 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19701907 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL19701903 0.72 PIK3CD (1.00) PIK3CDCYP3A4CYP2C9CYP2C19

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 14/4885PLA2G7 2152/4885SMN1; SMN2 4355/4885

“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.