SCHEMBL963400

SCHEMBL963400

COc1ccc(CCNc2nccc(-n3ccc4cc(C(=O)O)ccc43)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.48
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
PTGDR Q13258 1/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
HTT P42858 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 2/20 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
SCHEMBL958177 0.93 MKNK1 (0.48) ROCK1MKNK1MKNK2MAPTLMNA
SCHEMBL959943 0.87 ROCK1 (0.51) ROCK1MKNK1MKNK2MAPTLMNA
SCHEMBL27985116 0.77 CDK2 (0.53) ROCK1MKNK1MKNK2CDK2
SCHEMBL959130 0.76 PTGDR (0.64) MAPTLMNATSHRPTGDRCCNT1
SCHEMBL211742 0.76 SMN1; SMN2 (0.53) MAPTLMNATSHRPTGDRCCNT1
SCHEMBL7498672 0.71 MKNK2 (0.63) MKNK1MKNK2LMNATP53
SCHEMBL6840218 0.71 ROCK1 (0.50) ROCK1CDK2HTT
SCHEMBL210977 0.70 SMN1; SMN2 (0.53) MAPTLMNATSHRPTGDRCCNT1
SCHEMBL11266561 0.70 MAPT (0.63) MAPTHTTPOLB
SCHEMBL7507056 0.69 MKNK2 (0.63) MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 ROCK1 1958/4885MKNK1 4373/4885MKNK2 3518/4885

“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.