SCHEMBL4879445

SCHEMBL4879445

O=C(NCc1ccccc1)c1cn[nH]c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.60
ROCK1 Q13464 4/20 0.60
HPGDS O60760 4/20 0.59
HPGD P15428 1/20 0.58
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKCG P05129 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PRKX P51817 1/20 0.54
PRKCD Q05655 1/20 0.54

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
SCHEMBL31023451 0.91 EPHX2 (0.62) ROCK2ROCK1HPGDSHDAC2HDAC8
SCHEMBL4885892 0.84 ROCK2 (0.62) ROCK2ROCK1HDAC2HDAC8HDAC6
SCHEMBL18741074 0.84 L3MBTL1 (0.61) ROCK2ROCK1L3MBTL1SMN1; SMN2LMNA
SCHEMBL360181 0.84 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL23586414 0.83 ROCK2 (0.66) ROCK2ROCK1HDAC2HDAC6MAPK1
SCHEMBL18741188 0.83 ROCK2 (0.61) ROCK2ROCK1HPGD
SCHEMBL18741190 0.83 LMNA (0.56) ROCK2ROCK1HPGDSMN1; SMN2LMNA
SCHEMBL4882240 0.81 MAPK14 (0.59) ROCK2ROCK1HDAC2HDAC6L3MBTL1
SCHEMBL3018586 0.81 HTT (0.49) ROCK2ROCK1HPGD
SCHEMBL30739187 0.81 KLKB1 (0.54) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885HPGDS 1109/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885HPGDS 1109/4885

“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.