SCHEMBL16702418

SCHEMBL16702418

CC(C)(C)COc1cc(F)ncc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NUDT1 P36639 4/20 0.39
▸ BACE1 P56817 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ AAK1 Q2M2I8 5/20 0.34
▸ XDH P47989 3/20 0.34
▸ TRPC6 Q9Y210 2/20 0.33

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
SCHEMBL16702500 0.84 ALDH1A1 (0.61) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL29572726 0.77 ALDH1A1 (0.43) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL22805065 0.77 ALDH1A1 (0.43) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL25215083 0.77 PLAU (0.40) ALDH1A1L3MBTL1
SCHEMBL16703136 0.74 SCN9A (0.33) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL16702527 0.70 NUDT1 (0.45) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL28061256 0.68 L3MBTL1 (0.42) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL16473602 0.68 NUDT1 (0.41) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL16741488 0.67 CHEK1 (0.53) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL28911695 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP KDM4E 2680/4885MEN1 1998/4885USP2 3464/4885

“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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