SCHEMBL11894630

SCHEMBL11894630

O=C(O)c1cc(-c2ccncc2)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ DHODH Q02127 6/20 0.45
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ GRM1 Q13255 1/20 0.37

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
SCHEMBL11894960 0.90 DHODH (0.45) GAAALDH1A1DHODHMAPTMEN1
SCHEMBL11894800 0.89 PLA2G2A (0.44) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11894797 0.87 DHODH (0.40) GAAALDH1A1DHODHMEN1KMT2A
SCHEMBL11894744 0.85 DHODH (0.40) GAAALDH1A1DHODHMAPTMEN1
SCHEMBL11895039 0.85 DHODH (0.40) GAAALDH1A1DHODHMEN1KMT2A
SCHEMBL11894650 0.85 DHODH (0.41) ALDH1A1DHODHMAPTMEN1KMT2A
SCHEMBL11895456 0.85 MEN1 (0.39) GAAALDH1A1DHODHMAPTMEN1
SCHEMBL11894643 0.83 MEN1 (0.37) GAAALDH1A1DHODHMAPTMEN1
SCHEMBL11894579 0.83 PDE11A (0.42) GAAALDH1A1DHODHMEN1KMT2A
SCHEMBL11894698 0.82 KDM4E (0.49) GAAALDH1A1MAPTMEN1KMT2A

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 GAA 2429/4885ALDH1A1 2046/4885DHODH 1958/4885

“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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