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

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.

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