SCHEMBL9974684

SCHEMBL9974684

COC(=O)c1ccc(C)c(-c2ccc3c(=O)[nH]c(C)cc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP1 P09874 3/20 0.46
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
MAPK14 Q16539 3/20 0.43
TNKS O95271 1/20 0.43
CSNK2A1 P68400 1/20 0.42
BRD4 O60885 1/20 0.41
DYRK1A Q13627 3/20 0.40
GAA P10253 1/20 0.40
KIF11 P52732 1/20 0.40
DYRK1B Q9Y463 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3633046 0.86 GRIK1 (0.61) KDM4EPARP1GRIK1GRIA1GRIA2
SCHEMBL25070895 0.86 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL2419992 0.83 MAPK14 (0.56) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL9974708 0.77 MAPK14 (0.47) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL4977924 0.75 CA12 (0.49) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL18190480 0.75 GRIA1 (0.62) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL6471646 0.73 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL5490221 0.73 MAPK14 (0.50) MAPK14LCK
SCHEMBL2952639 0.73 MAPK14 (0.52) KDM4EALDH1A1MAPK14GAALCK
SCHEMBL396172 0.72 MAPK14 (0.51) MAPK14CSNK2A1LCK

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 KDM4E 2093/4885ALDH1A1 272/4885HPGD 654/4885

“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.