SCHEMBL9974702

SCHEMBL9974702

COC(=O)c1cn(Cc2ccncc2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.60
▸ USP2 O75604 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ BRD4 O60885 1/20 0.47
▸ MAPK8 P45983 9/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ MAPK9 P45984 1/20 0.41
▸ NR4A2 P43354 1/20 0.41

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
SCHEMBL12284564 0.89 KDM4E (0.59) MAPK10KDM4EBRD4MAPK8ALDH1A1
SCHEMBL2417549 0.87 KDM4E (0.48) MAPK10USP2KDM4EBRD4L3MBTL1
SCHEMBL12284311 0.77 MAPK8 (0.51) KDM4EBRD4MAPK8ALDH1A1NR4A2
SCHEMBL2419642 0.76 LMNA (0.52) KDM4EBRD4MAPK8RXFP1
SCHEMBL9974671 0.75 KDM4E (0.59) MAPK10KDM4EBRD4MAPK8ALDH1A1
SCHEMBL12284876 0.74 MAPK8 (0.54) MAPK10USP2MAPK8ALDH1A1MAPK9
SCHEMBL12284388 0.73 MAPK14 (0.50) BRD4
SCHEMBL4711631 0.73 MAPK8 (0.86) MAPK10MAPK8MAPK9
SCHEMBL18284179 0.71 CNR1 (0.54) KDM4EALDH1A1NR4A2
SCHEMBL29778993 0.71 MAPK8 (0.59) MAPK10USP2KDM4EMAPK8ALDH1A1

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
CN-101679275-B Isocarbostyril derivative and its pharmaceutical uses ASTRAZENECA AB 2013-07-31 — — CN disclosed
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
CN-101679275-A New compounds 707 and their uses ASTRAZENECA AB 2010-03-24 — — CN disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 — — 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-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 MAPK10 3748/4885USP2 3437/4885KDM4E 2093/4885

“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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