SCHEMBL791041

SCHEMBL791041

Nc1c(C(=O)O)cc(Nc2cccc(C(F)(F)F)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.61
▸ ADORA2A P29274 1/20 0.56
▸ MPO P05164 6/20 0.56
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ DHODH Q02127 1/20 0.52
▸ AKR1C3 P42330 2/20 0.51
▸ AKR1C2 P52895 2/20 0.51
▸ P2RY4 P51582 3/20 0.51
▸ GNG2 P59768 1/20 0.50
▸ GNB1 P62873 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL791005 0.99 P2RY12 (0.60) P2RY12ADORA2AMPOMAPTKDM4E
SCHEMBL791007 0.99 P2RY12 (0.60) P2RY12ADORA2AMPOMAPTKDM4E
SCHEMBL791006 0.89 P2RY12 (0.54) P2RY12ADORA2AMAPTDHODHP2RY4
SCHEMBL11593716 0.86 P2RY12 (0.73) P2RY12MAPTKDM4EMEN1USP2
SCHEMBL9116517 0.83 P2RY12 (0.64) P2RY12ADORA2AMAPTKDM4EMEN1
SCHEMBL15371383 0.83 P2RY4 (0.74) P2RY12ADORA2AMAPK1P2RY4GNG2
SCHEMBL13213994 0.82 P2RY12 (0.75) P2RY12MAPTKDM4EMEN1USP2
SCHEMBL791376 0.82 P2RY4 (0.73) P2RY12ADORA2AMAPK1P2RY4GNG2
SCHEMBL791375 0.80 P2RY4 (0.75) P2RY12P2RY4CDK2P2RY2P2RY1
SCHEMBL11413277 0.78 P2RY4 (0.72) P2RY12MAPTKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877940-B2 Anthraquinone compounds and their uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2018-01-30 — — US claimed
US-9877940-B2 Anthraquinone compounds and their uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2018-01-30 — — US disclosed
US-9877940-B2 Anthraquinone compounds and their uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2018-01-30 — — US disclosed
US-9877940-B2 Anthraquinone compounds and their uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2018-01-30 — — US disclosed
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2016-08-25 — — US disclosed
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2016-08-25 — — US disclosed
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2016-08-25 — — US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 — — US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 — — US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 — — US disclosed
EP-2616449-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES Dundalk Institute of Technology (IE) 2013-07-24 — — EP disclosed
WO-2012035122-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2012-03-22 — — WO disclosed
WO-2012035122-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2012-03-22 — — WO 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-20130296588-A1 Anthraquinone Compounds and Their Uses MYLK, CYP11B2, MYOC P2RY12 1469/4885ADORA2A 2425/4885MPO 1737/4885
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES MYLK, MYLK2, MYH10 P2RY12 1864/4885ADORA2A 2678/4885MPO 1627/4885

“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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