SCHEMBL4758212

SCHEMBL4758212

O=C(NCc1nc(-c2ccncc2)co1)c1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GFER P55789 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
CASP1 P29466 2/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
GSK3B P49841 2/20 0.38
PIM1 P11309 2/20 0.37
CDC7 O00311 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL14313615 0.89 KMT2A (0.43) TSHRALDH1A1ROCK2ROCK1CASP1
SCHEMBL4757627 0.78 CES1 (0.43) TSHRROCK2ROCK1CASP1CYP2C9
SCHEMBL4788074 0.77 GFER (0.42) TSHRGFERALDH1A1ROCK2ROCK1
SCHEMBL4790269 0.76 ROCK2 (0.50) GFERALDH1A1ROCK2ROCK1CASP1
SCHEMBL4790118 0.75 ROCK2 (0.52) ROCK2
SCHEMBL4790121 0.73 GFER (0.42) GFERALDH1A1ROCK2ROCK1KMT2A
SCHEMBL14289621 0.70 POLB (0.50) ROCK2ROCK1CASP1POLBGSK3B
SCHEMBL14313620 0.67 MAPK1 (0.42) TSHRROCK2ROCK1CASP1CYP2C9
SCHEMBL23484439 0.66 ALDH1A1 (0.69) TSHRGFERALDH1A1CASP1KMT2A
SCHEMBL4913264 0.66 ALDH1A1 (0.62) TSHRGFERALDH1A1CASP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA TSHR 4034/4885GFER 3282/4885ALDH1A1 3968/4885

“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.