SCHEMBL19280431

SCHEMBL19280431

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
APLNR P35414 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL192397 0.89 APLNR (0.56) ABCB1APLNRALDH1A1TAS1R3TAS1R1
SCHEMBL19280174 0.88 ALDH1A1 (0.53) APLNRKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL19701824 0.86 KMT2A (0.48) ABCB1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL15276322 0.82 ABCB1 (0.50) ABCB1APLNRALDH1A1TAS1R3TAS1R1
SCHEMBL19280353 0.82 APLNR (0.58) APLNRKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL19710910 0.81 APLNR (0.58) ABCB1APLNRKMT2AALDH1A1TAS1R3
SCHEMBL18692366 0.81 APLNR (0.54) ABCB1APLNRKMT2AALDH1A1TAS1R3
SCHEMBL23142844 0.81 CNR1 (0.53) ABCB1APLNRALDH1A1TAS1R3TAS1R1
SCHEMBL22579009 0.81 APLNR (0.57) ABCB1APLNRKMT2AALDH1A1TAS1R3
SCHEMBL13544515 0.80 APLNR (0.55) APLNRKMT2AALDH1A1TAS1R3TAS1R1

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 ABCB1 998/4885APLNR 4105/4885KMT2A 2535/4885

“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.