SCHEMBL5455612

SCHEMBL5455612

CNC(CC#N)C1CCN(c2cc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.41
KCNH2 Q12809 4/20 0.34
PRKD3 O94806 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5822414 0.87 TOP1 (0.43) TOP1KCNH2PRKD3PIM1GSK3A
SCHEMBL5460699 0.87 TOP1 (0.43) TOP1KCNH2PRKD3PIM1GSK3A
SCHEMBL5455620 0.85 KCNH2 (0.46) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5457726 0.84 KCNH2 (0.34) TOP1KCNH2PRKD3PIM1GSK3A
SCHEMBL5467131 0.84 KCNH2 (0.35) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5465029 0.83 KCNH2 (0.44) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5459072 0.81 KCNH2 (0.34) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5463190 0.80 KCNH2 (0.33) KCNH2
SCHEMBL5473279 0.79 KCNH2 (0.42) KCNH2CYP3A4
SCHEMBL5454128 0.78 AADAT (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US claimed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL TOP1 7/4885KCNH2 2633/4885PRKD3 4143/4885

“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.