SCHEMBL19280337

SCHEMBL19280337

COc1ccc(CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)CBr)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ APLNR P35414 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL19280349 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL19701827 0.88 AKT1 (0.41) ALDH1A1KDM4EAKT1HTTGAA
SCHEMBL19690277 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL19710910 0.75 APLNR (0.58) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL9915416 0.74 KMT2A (0.45) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL31564004 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL192119 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL12282151 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL192397 0.72 APLNR (0.56) ALDH1A1POLBTSHRHTTABCB1
SCHEMBL15624358 0.71 KMT2A (0.55) ALDH1A1KDM4EPOLBTSHRKMT2A

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 ALDH1A1 3131/4885KDM4E 2233/4885POLB 2011/4885

“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.

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