SCHEMBL11894576

SCHEMBL11894576

C#Cc1cc(C(=O)OC)c2c(ccc3nn(-c4cccc(F)c4)nc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ TP53 P04637 3/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PLA2G2A P14555 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 1/20 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
SCHEMBL11895219 0.90 TP53 (0.37) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11895054 0.88 L3MBTL1 (0.34) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11894766 0.85 KDM4E (0.45) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11894800 0.81 PLA2G2A (0.44) ALDH1A1TDP1PLA2G2AMEN1KMT2A
SCHEMBL11895198 0.80 GRM5 (0.44) MAPTTP53PLA2G2ANPC1RAB9A
SCHEMBL11894488 0.80 TACR3 (0.39) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11894742 0.80 ALDH1A1 (0.43) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11894915 0.80 MAPK1 (0.43) MAPTTP53ALDH1A1PLA2G2AMEN1
SCHEMBL11895070 0.79 PDE11A (0.39) MAPTTP53L3MBTL1ALDH1A1TDP1
SCHEMBL11895114 0.79 PLA2G2A (0.40) MAPTTP53L3MBTL1ALDH1A1TDP1

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 MAPT 2243/4885TP53 1808/4885L3MBTL1 3943/4885

“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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