SCHEMBL9974659

SCHEMBL9974659

COC(=O)c1ccc(C)c(-c2ccc3c(=O)n(Cc4ccccc4)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
CFTR P13569 2/20 0.44
OPRK1 P41145 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK8 P45983 3/20 0.43
MMP13 P45452 1/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9974724 0.90 HDAC8 (0.47) ROCK2ROCK1LMNAALDH1A1POLB
SCHEMBL12284336 0.90 MAPK8 (0.43) P2RX7ROCK2ROCK1MAPK8LMNA
SCHEMBL9974723 0.90 LMNA (0.41) P2RX7ROCK2ROCK1LMNAALDH1A1
SCHEMBL2419798 0.90 GRIK1 (0.44) ROCK2ROCK1MAPK8LMNABRD4
SCHEMBL2420703 0.89 BRD4 (0.42) ROCK2ROCK1LMNABRD4F2RL3
SCHEMBL9974663 0.88 PTGS2 (0.45) P2RX7ROCK2ROCK1MAPK8LMNA
SCHEMBL2421586 0.87 BRD4 (0.48) LMNABRD4ALDH1A1POLB
SCHEMBL9974704 0.85 MAPK14 (0.46) LMNAALDH1A1
SCHEMBL2422941 0.84 MAPK14 (0.56) BRD4
SCHEMBL2419000 0.84 LMNA (0.39) P2RX7LMNAALDH1A1POLB

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 P2RX7 43/4885CFTR 196/4885OPRK1 301/4885

“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.