SCHEMBL11895039

SCHEMBL11895039

O=C(O)c1cc(-c2ccoc2)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ STING1 Q86WV6 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34

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
SCHEMBL11894890 0.89 PLA2G2A (0.40) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894630 0.85 GAA (0.55) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894960 0.84 DHODH (0.45) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894698 0.84 KDM4E (0.49) MEN1KMT2AALDH1A1GAA
SCHEMBL11894797 0.83 DHODH (0.40) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894744 0.83 DHODH (0.40) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11895456 0.82 MEN1 (0.39) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894978 0.81 NOTUM (0.38) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894643 0.81 MEN1 (0.37) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL11894650 0.81 DHODH (0.41) DHODHMEN1KMT2AALDH1A1PARP1

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 DHODH 1958/4885MEN1 2020/4885KMT2A 2231/4885

“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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