SCHEMBL4879066

SCHEMBL4879066

O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.68
ROCK1 Q13464 2/20 0.68
MLYCD O95822 2/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PLA2G1B P04054 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
MAPK14 Q16539 1/20 0.62
DDR2 Q16832 1/20 0.54
LMNA P02545 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 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
SCHEMBL4882259 0.87 MLYCD (0.59) ROCK2ROCK1MLYCDMEN1KMT2A
SCHEMBL4882240 0.84 MAPK14 (0.59) ROCK2ROCK1MLYCDMAPK14HDAC3
SCHEMBL23447721 0.83 MLYCD (0.77) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL5227678 0.83 MLYCD (0.86) ROCK2MLYCDMEN1KMT2APLA2G1B
SCHEMBL15967739 0.82 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL360181 0.82 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL5261051 0.81 MLYCD (0.80) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL18741190 0.81 LMNA (0.56) ROCK2ROCK1LMNAHPGD
SCHEMBL23586414 0.81 ROCK2 (0.66) ROCK2ROCK1HDAC3HDAC1HDAC2
SCHEMBL1568282 0.81 MLYCD (0.74) ROCK2ROCK1MLYCDMEN1KMT2A

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 1 patent. 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

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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885MLYCD 3862/4885

“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.