SCHEMBL11894732

SCHEMBL11894732

COC(=O)c1cc(-c2cccn2C(=O)OC(C)(C)C)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PLA2G2A P14555 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ MET P08581 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGDS O60760 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11895101 0.91 HSP90AA1 (0.45) HSP90AA1HSP90AB1PIK3R1PIK3CAPLA2G2A
SCHEMBL11894420 0.86 PLA2G2A (0.37) PLA2G2AGRM5GRM1TP53MAPT
SCHEMBL11895070 0.80 PDE11A (0.39) PLA2G2AGRM5TP53MAPTL3MBTL1
SCHEMBL11894800 0.79 PLA2G2A (0.44) PLA2G2AGRM1ALDH1A1TDP1LMNA
SCHEMBL11895198 0.78 GRM5 (0.44) PLA2G2AGRM5AXLTP53MAPT
SCHEMBL11894488 0.78 TACR3 (0.39) PLA2G2AGRM5TP53MAPTL3MBTL1
SCHEMBL11894936 0.78 MCL1 (0.39) PLA2G2ATP53MAPTL3MBTL1ALDH1A1
SCHEMBL11894742 0.77 ALDH1A1 (0.43) TP53MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11894915 0.77 MAPK1 (0.43) PLA2G2ATP53MAPTALDH1A1LMNA
SCHEMBL11894766 0.77 KDM4E (0.45) PLA2G2ATP53MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 HSP90AA1 3556/4885HSP90AB1 3577/4885PIK3R1 1390/4885

“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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