SCHEMBL9974663

SCHEMBL9974663

COC(=O)c1ccc(C)c(-c2ccc3c(=O)n(Cc4ccc(S(C)(=O)=O)cc4)ccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
MAPK8 P45983 5/20 0.43
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
LMNA P02545 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL2420386 0.90 MEN1 (0.41) CA1CA2CA4CA9MAPK8
SCHEMBL9974723 0.88 LMNA (0.41) CA1CA2CA4CA9MAPK10
SCHEMBL12284336 0.88 MAPK8 (0.43) CA1CA2CA4CA9MAPK8
SCHEMBL9974724 0.88 HDAC8 (0.47) LMNAALDH1A1POLBROCK2ROCK1
SCHEMBL9974659 0.88 P2RX7 (0.47) MAPK8LMNAALDH1A1POLBROCK2
SCHEMBL2424937 0.85 MAPK14 (0.49) MAPK10MAPK9
SCHEMBL9974704 0.83 MAPK14 (0.46) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL6701010 0.83 CA1 (0.46) PTGS2CA1CA2CA4CA9
SCHEMBL2422151 0.82 MAPK14 (0.51) MAPK10MAPK9
SCHEMBL2419000 0.80 LMNA (0.39) MAPK10LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGS2 1523/4885CA1 4171/4885CA2 3352/4885

“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.