SCHEMBL4155410

SCHEMBL4155410

Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)OC(=O)C(F)(F)F)c4c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.35
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
IKBKB O14920 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MPO P05164 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL4155407 0.88 HPGD (0.45) ICMTHPGDCYP2C19CHEK1WEE1
SCHEMBL4157563 0.84 HPGD (0.49) ICMTHPGDCYP2C19CHEK1WEE1
SCHEMBL4162598 0.76 HPGD (0.52) ICMTHPGDCYP2C19CHEK1WEE1
SCHEMBL4153837 0.75 GPR17 (0.45) ICMTHPGDCYP2C19IKBKB
SCHEMBL4166164 0.74 GPR17 (0.40) HPGDCYP2C19CHEK1WEE1IKBKB
SCHEMBL3247597 0.73 MCL1 (0.46) CHEK1WEE1
SCHEMBL4165123 0.73 HPGD (0.63) HPGDCYP2C19MPO
SCHEMBL4163088 0.72 GRIN2D (0.45) ICMTHPGDCYP2C19CHEK1WEE1
Hydrochloric Acid SCHEMBL4161691 0.72 HPGD (0.62) HPGDCYP2C19IKBKBMPO
SCHEMBL3247523 0.72 CLEC4M (0.46) CYP2C19GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 ICMT 4247/4885HPGD 882/4885CYP2C19 4277/4885

“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.