SCHEMBL19280353

SCHEMBL19280353

COc1ccc(CNC(=O)C(C)(C)Br)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.58
ALDH1A1 P00352 3/20 0.54
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL13544515 0.86 APLNR (0.55) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL13544746 0.86 APLNR (0.55) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL28166824 0.86 APLNR (0.58) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL19280174 0.84 ALDH1A1 (0.53) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL18415441 0.83 TAS1R3 (0.67) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL2261220 0.82 APLNR (0.65) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL10141758 0.82 APLNR (0.65) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL19280431 0.82 ABCB1 (0.51) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL192397 0.82 APLNR (0.56) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL13544760 0.81 APLNR (0.52) APLNRALDH1A1TAS1R3TAS1R1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP 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 APLNR 4105/4885ALDH1A1 3131/4885TAS1R3 1256/4885

“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.