SCHEMBL1884552

SCHEMBL1884552

[CH2]Sc1ncnc2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.37
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PAK1 Q13153 1/20 0.33
NOTUM Q6P988 2/20 0.32
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31
PI4KA P42356 1/20 0.31
XDH P47989 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HTT P42858 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
SCHEMBL240979 0.80 TP53 (0.52) G6PDTP53HSD17B10PAK1NOTUM
SCHEMBL754882 0.76 ALDH1A1 (0.39) G6PDTP53HSD17B10PAK1NOTUM
SCHEMBL2115552 0.76 PAK1 (0.40) G6PDTP53HSD17B10PAK1NOTUM
SCHEMBL1725582 0.73 PAK1 (0.62) TP53HSD17B10PAK1LMNAXDH
SCHEMBL2118555 0.73 PAK1 (0.48) TP53HSD17B10PAK1NOTUMLMNA
SCHEMBL8826229 0.72 PAK1 (0.61) PAK1LMNAXDHHTT
SCHEMBL10925300 0.72 PAK1 (0.61) PAK1LMNAXDHHTT
SCHEMBL735449 0.72 NOTUM (0.60) NOTUMLMNAHTT
SCHEMBL21316653 0.71 TP53 (0.36) G6PDTP53HSD17B10PAK1NOTUM
Adenine SCHEMBL8110 0.70 PI4KA (0.48) LMNADRD3PI4KAXDHLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346878-B1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-01 EP disclosed
US-8653272-B2 Fused pyridine derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110201630-A1 Fused Pyridine Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2011-08-18 US disclosed
EP-2346878-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-07-27 EP disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
WO-2010061180-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-06-03 WO disclosed
WO-2010046639-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-04-29 WO 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE G6PD 601/4885TP53 2194/4885HSD17B10 3399/4885
US-20110201630-A1 Fused Pyridine Derivatives as Kinase Inhibitors MAP2K2, MAP4K2, MAP3K6 G6PD 1218/4885TP53 1839/4885HSD17B10 3458/4885

“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.