SCHEMBL4174413

SCHEMBL4174413

[CH2]Cc1c[nH]c2c(=O)[nH]c3ccc(-c4ccnc(N(C)CCN(C)C)n4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.41
PIM3 Q86V86 6/20 0.41
PIM2 Q9P1W9 5/20 0.41
PDPK1 O15530 1/20 0.33
HTR1D P28221 3/20 0.32
HTR1B P28222 3/20 0.32
NUAK1 O60285 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL3249166 0.85 PIM1 (0.40) PIM1PIM3PIM2PDPK1TLR9
SCHEMBL4159388 0.85 PIM1 (0.36) PIM1PIM3PIM2HTR1DHTR1B
Formic Acid SCHEMBL4159384 0.84 PIM1 (0.36) PIM1PIM3PIM2HTR1DHTR1B
SCHEMBL4163761 0.81 AURKA (0.47) PIM1PIM3PIM2PDPK1
SCHEMBL13928213 0.81 JAK2 (0.38) PIM1PIM3PIM2
Formic Acid SCHEMBL3249581 0.79 JAK3 (0.36) PIM1PIM3PIM2
SCHEMBL4159498 0.76 PDPK1 (0.39) PDPK1AAK1
Propionic Acid SCHEMBL4159389 0.73 PIM1 (0.37) PIM1PIM3PIM2PDPK1TLR9
SCHEMBL3251264 0.72 PDPK1 (0.43) PIM1PDPK1AAK1
SCHEMBL4157705 0.70 HPGD (0.41) PIM1PIM3PIM2PDPK1AAK1

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-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 PIM1 279/4885PIM3 337/4885PIM2 254/4885

“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.