SCHEMBL19359475

SCHEMBL19359475

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAUR Q03405 3/20 0.69
▸ P2RY4 P51582 5/20 0.54
▸ P2RY12 Q9H244 4/20 0.54
▸ CDC25B P30305 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAP2K7 O14733 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CDC25A P30304 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ GNG2 P59768 2/20 0.53
▸ GNB1 P62873 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL19382541 0.88 P2RY4 (0.69) PLAURP2RY4P2RY12GNG2GNB1
SCHEMBL11172913 0.86 P2RY4 (0.65) P2RY4P2RY12ALDH1A1MAPK1GNG2
SCHEMBL11116594 0.84 GNG2 (0.56) PLAURP2RY4P2RY12ALDH1A1MAPK1
SCHEMBL13214014 0.84 GNG2 (0.76) P2RY4P2RY12ALDH1A1MAPK1GNG2
SCHEMBL10815044 0.84 GNG2 (0.68) P2RY4P2RY12ALDH1A1MAPK1GNG2
SCHEMBL3033166 0.83 GNG2 (0.74) P2RY4P2RY12ALDH1A1MAPK1GNG2
SCHEMBL3033165 0.82 P2RY4 (0.80) P2RY4P2RY12MEN1KMT2ACDK2
SCHEMBL11120841 0.79 P2RY4 (0.68) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL11290029 0.79 MEN1 (0.67) PLAURMAPK1MEN1MAPTKMT2A
SCHEMBL10794537 0.79 CDC25B (0.61) PLAURCDC25BALDH1A1MAPK1MAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550090-B2 Process for preparing substituted 9,10-dioxo-9,10-dihydroanthrecenes and 6H-anthra[1,9-cd]isoxazol-6-ones PURDUE PHARMA L.P. (US) 2020-02-04 — — US disclosed
US-20190084942-A1 PROCESS FOR PREPARING SUBSTITUTED 9,10-DIOXO-9,10-DIHYDROANTHRECENES AND 6H-ANTHRA[1,9-CD]ISOXAZOL-6-ONES PURDUE PHARMA L.P. 2019-03-21 — — US disclosed
WO-2017161235-A1 PROCESS FOR PREPARING SUBSTITUTED 9,10-DIOXO-9,10-DIOXO-9,10-DIHYDROANTHRECENES AND 6H-ANTHRA(1,9-CD)ISOXAZOL-6-ONES PURDUE PHARMA L. P. (US) 2017-09-21 — — 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-20190084942-A1 PROCESS FOR PREPARING SUBSTITUTED 9,10-DIOXO-9,10-DIHYDROANTHRECENES AND 6H-ANTHRA[1,9-CD]ISOXAZOL-6-ONES ANTXR2, DHRS9, CYP2C9 PLAUR 3448/4885P2RY4 463/4885P2RY12 840/4885
US-10550090-B2 Process for preparing substituted 9,10-dioxo-9,10-dihydroanthrecenes and 6H-anthra[1,9-cd]isoxazol-6-ones ANTXR2, CYP2C9, DHRS9 PLAUR 3395/4885P2RY4 435/4885P2RY12 790/4885

“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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