SCHEMBL9974644

SCHEMBL9974644

COC(=O)c1ccc(C)c(-c2ccc3c(=O)n(Cc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
NAMPT P43490 1/20 0.39
SCN9A Q15858 1/20 0.38
WNT3A P56704 1/20 0.38
PDK4 Q16654 1/20 0.38
JAK1 P23458 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37
LMNA P02545 1/20 0.37
SOS1 Q07889 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CNR1 P21554 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
KIT P10721 1/20 0.36
HTR6 P50406 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL2419000 0.90 LMNA (0.39) LMNAKMT2A
SCHEMBL9974666 0.90 RIPK2 (0.44) BRD4SCN9AKIT
SCHEMBL9974723 0.79 LMNA (0.41) LMNAHDAC1HDAC6KMT2A
SCHEMBL12284336 0.79 MAPK8 (0.43) LMNAHDAC1HDAC6KMT2A
SCHEMBL9974724 0.79 HDAC8 (0.47) LMNAHDAC1HDAC6
SCHEMBL9974659 0.79 P2RX7 (0.47) BRD4LMNA
SCHEMBL2417383 0.79 MAPK14 (0.45) KIT
SCHEMBL9943943 0.79 MAPK14 (0.42) KIT
SCHEMBL16804334 0.78 CYP11B2 (0.43) NAMPTWNT3AJAK1GRM5GRM1
SCHEMBL9974704 0.78 MAPK14 (0.46) LMNAKMT2A

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 BRD4 598/4885NAMPT 1099/4885SCN9A 2516/4885

“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.