SCHEMBL19702008

SCHEMBL19702008

CC(C)c1cccc(-n2c(=O)c3ccccc3n(C)c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.67
NPEPPS P55786 1/20 0.52
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
PPARG P37231 3/20 0.46
GRM4 Q14833 3/20 0.45
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOTUM Q6P988 1/20 0.41
PARG Q86W56 1/20 0.41
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL22055790 0.82 PGR (0.72) PGRNPEPPSERCC1FEN1ERCC4
SCHEMBL6360759 0.81 PGR (1.00) PGRNPEPPSERCC1FEN1ERCC4
SCHEMBL19702005 0.81 BTK (0.52) PGRGRM4MAPTRXFP1NOTUM
SCHEMBL15496383 0.78 KDM4E (0.53) PPARGMAPTNOTUM
SCHEMBL19342645 0.74 KDM4E (0.48) PPARGMAPTNOTUM
SCHEMBL16352662 0.73 ERCC1 (0.61) PGRNPEPPSERCC1FEN1ERCC4
SCHEMBL12889781 0.73 PGR (0.77) PGRNPEPPSERCC1FEN1ERCC4
SCHEMBL5331459 0.70 PGR (0.55) PGRGRM4MAPTRXFP1
SCHEMBL12000729 0.70 KDM4E (0.47) PPARGNOTUM
SCHEMBL31276926 0.70 RORA (0.52) PGRERCC1FEN1ERCC4

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 PGR 1396/4885NPEPPS 4583/4885ERCC1 4103/4885

“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.