SCHEMBL4017740

SCHEMBL4017740

c1ccc2c(c1)cnn2-c1nc(NC2CCCCC2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.57
TLR7 Q9NYK1 3/20 0.55
PDE5A O76074 2/20 0.54
ACP1 P24666 2/20 0.54
OGG1 O15527 1/20 0.54
PDE10A Q9Y233 1/20 0.53
GBA1 P04062 5/20 0.50
LCK P06239 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TOP2A P11388 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPY5R Q15761 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4911813 0.76 ADORA2A (0.60) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4908801 0.76 KCNN2 (0.59) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4912379 0.76 KCNN2 (0.59) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4913903 0.76 KCNN2 (0.59) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4911365 0.74 KCNN2 (0.57) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4176633 0.74 KCNN2 (0.60) PDE10AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4907646 0.74 CCR4 (0.54) CCR4TLR7PDE5AACP1OGG1
SCHEMBL30896243 0.74 CCR4 (0.73) CCR4TLR7PDE5AACP1OGG1
SCHEMBL11743074 0.74 CCR4 (0.73) CCR4TLR7PDE5AACP1OGG1
SCHEMBL4013746 0.74 MKNK1 (0.53) PDE10ALCKALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133664-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO claimed
US-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US claimed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US claimed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP claimed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 WO claimed
US-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US disclosed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US disclosed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP disclosed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 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 (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-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCND2, KCNN3, KCNJ2 CCR4 4403/4885TLR7 3233/4885PDE5A 1518/4885

“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.