SCHEMBL2907432

SCHEMBL2907432

CCc1ccc2oc3cc(C(=O)O)c(N)nc3c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.56
▸ IKBKE Q14164 7/20 0.56
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.48

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
SCHEMBL11368425 0.91 TBK1 (0.46) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11364300 0.89 TBK1 (0.47) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2906858 0.89 TBK1 (0.59) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11361695 0.88 TBK1 (0.60) TBK1IKBKEKDM4ENPC1GAA
SCHEMBL11374157 0.87 TBK1 (0.44) TBK1IKBKEKDM4ENPC1PKM
SCHEMBL11362855 0.87 RAB9A (0.51) TBK1IKBKEKDM4ENPC1PKM
SCHEMBL11098702 0.86 TBK1 (0.43) TBK1IKBKEKDM4ENPC1TTR
SCHEMBL2904833 0.84 KDM4E (0.56) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11369213 0.84 TBK1 (0.42) TBK1IKBKEKDM4ENPC1GAA
SCHEMBL11359964 0.84 TBK1 (0.42) TBK1IKBKEKDM4ENPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
EP-1968981-B1 AZAXANTHONES AND USE THEREOF FOR TREATING TUMORS SUPRATEK PHARMA INC (CA) 2010-08-18 — — EP disclosed
US-7772255-B2 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. (CA) 2010-08-10 — — US disclosed
US-20090042923-A1 Method of Treating Tumors with Azaxanthones SEMOV ALEXANDRE 2009-02-12 — — US disclosed
US-20070135473-A1 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. 2007-06-14 — — US disclosed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — 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 (2 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-20070135473-A1 Method of treating tumors with azaxanthones S100A4, S100B, S100P TBK1 2135/4885IKBKE 1437/4885KDM4E 1501/4885
US-20090042923-A1 Method of Treating Tumors with Azaxanthones S100A4, S100P, S100B TBK1 2247/4885IKBKE 1422/4885KDM4E 1807/4885

“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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