SCHEMBL11894766

SCHEMBL11894766

COC(=O)c1cc(Cl)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PLA2G2A P14555 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL11895340 0.91 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11894930 0.89 KDM4E (0.46) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11894745 0.88 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11895063 0.87 PARP1 (0.40) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11895038 0.87 KDM4E (0.42) KDM4EMAPTTP53SMN1; SMN2KMT2A
SCHEMBL11894576 0.85 MAPT (0.37) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11895219 0.85 TP53 (0.37) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11894800 0.84 PLA2G2A (0.44) KDM4EALDH1A1TDP1PLA2G2AHPGD
SCHEMBL11894488 0.83 TACR3 (0.39) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL11895198 0.83 GRM5 (0.44) KDM4EMAPTTP53PLA2G2ANPC1

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 KDM4E 2321/4885L3MBTL1 3943/4885ALDH1A1 2046/4885

“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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