SCHEMBL19701971

SCHEMBL19701971

COC(=O)N1CCN(c2cccc(C(C)C)c2)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
CYP3A4 P08684 8/20 0.41
CYP2C19 P33261 6/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2D6 P10635 4/20 0.41
NOTUM Q6P988 2/20 0.41
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
ADAM10 O14672 1/20 0.39
PANK3 Q9H999 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL19701949 0.86 PIK3CD (0.47) PIK3CDCYP3A4CYP2C19CYP2D6NOTUM
SCHEMBL19701975 0.84 PIK3CD (0.43) PIK3CDNOTUMMAPK1ALDH1A1HPGD
SCHEMBL19710651 0.84 PIK3CD (0.44) PIK3CDCYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL19701972 0.83 NOTUM (0.41) PIK3CDNOTUMMAPK1HPGDTSHR
SCHEMBL19701980 0.80 MAPT (0.57) CYP3A4CYP2C19NOTUMHSD17B10HIF1A
SCHEMBL19701973 0.74 PIK3CD (0.39) PIK3CDCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL19701974 0.73 PIK3CD (0.48) PIK3CDCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL27406469 0.71 NOTUM (0.39) CYP3A4CYP2C9CYP2D6NOTUMHPGD
SCHEMBL23777749 0.71 MGLL (0.48) MEN1KMT2AMGLL
SCHEMBL19710839 0.71 PIK3CD (0.44) PIK3CDNOTUMHSD17B10MAPK1ALDH1A1

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 14/4885CYP3A4 2210/4885CYP2C19 1902/4885

“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.