SCHEMBL1587842

SCHEMBL1587842

COC(=O)c1cnc(N[C@@H]2CCOC2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD11B1 P28845 10/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL1587833 1.00 MAPT (0.49) MAPTMAPK8MAPK9GAAALDH1A1
SCHEMBL1587831 1.00 MAPT (0.49) MAPTMAPK8MAPK9GAAALDH1A1
SCHEMBL12795998 0.93 MAPT (0.51) MAPTGAAALDH1A1KMT2ACNR2
SCHEMBL1587368 0.87 CNR2 (0.45) MAPK8MAPK9HSD11B1CNR2CYP2D6
SCHEMBL1587367 0.87 CNR2 (0.45) MAPK8MAPK9HSD11B1CNR2CYP2D6
SCHEMBL1587867 0.87 CNR2 (0.45) MAPK8MAPK9HSD11B1CNR2CYP2D6
SCHEMBL542209 0.81 CDK1 (0.52) MAPTGAAALDH1A1KMT2AJUN
SCHEMBL12796044 0.80 HDAC3 (0.49) CNR2CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL1587359 0.80 HSD11B1 (0.58) MAPK8MAPK9HSD11B1HDAC3HDAC1
SCHEMBL1588001 0.80 HSD11B1 (0.58) MAPK8MAPK9HSD11B1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 — — WO disclosed
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 — — WO disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — 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-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 HSD11B1, HSD17B11, HSD3B1 MAPT 3552/4885MAPK8 2238/4885MAPK9 1609/4885

“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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