SCHEMBL14844694

SCHEMBL14844694

Cc1cccc2[nH]c(=O)c(-c3ccccc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ TNKS O95271 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ AURKA O14965 1/20 0.48
▸ MGAM O43451 8/20 0.48
▸ GAA P10253 8/20 0.48
▸ SI P14410 8/20 0.48
▸ MGAM2 Q2M2H8 8/20 0.48
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ ESR1 P03372 1/20 0.46

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
SCHEMBL8874107 0.82 RAB9A (0.53) KDM4ERAB9ANPC1TNKSPARP1
SCHEMBL10285823 0.78 MGAM (0.50) MAPK8MAPK9MAPK10PARP1AURKA
SCHEMBL13865841 0.78 MGAM (0.52) RAB9ANPC1MAPK8MAPK9MAPK10
SCHEMBL30615069 0.77 MGAM (0.76) KDM4ERAB9ANPC1TNKSPARP1
SCHEMBL5074029 0.77 MGAM (0.76) KDM4ERAB9ANPC1TNKSPARP1
SCHEMBL23886103 0.76 GAA (0.64) KDM4ERAB9ANPC1TNKSPARP1
SCHEMBL30019636 0.76 GAA (0.64) KDM4ERAB9ANPC1TNKSPARP1
SCHEMBL29101810 0.75 RAB9A (0.64) KDM4ERAB9ANPC1MAPK8MAPK9
SCHEMBL1901480 0.75 RAB9A (1.00) KDM4ERAB9ANPC1GAAALDH1A1
SCHEMBL29820118 0.75 RAB9A (1.00) KDM4ERAB9ANPC1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024257-A Quinoxaline inhibitors of PI3K GILEAD CALISTOGA LLC 2014-09-03 — — CN disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 — — US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 — — US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 — — US disclosed
EP-2763994-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K Gilead Calistoga LLC (US) 2014-08-13 — — EP disclosed
WO-2013052699-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC (US) 2013-04-11 — — WO disclosed
WO-2013052699-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC (US) 2013-04-11 — — 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 (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-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K PIK3R5, PIK3CA, PIK3CD KDM4E 2161/4885RAB9A 337/4885NPC1 1801/4885

“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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