SCHEMBL4021715

SCHEMBL4021715

Clc1ccc2nc(-c3ccccn3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
KDM4E B2RXH2 6/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.44
METAP1 P53582 2/20 0.44
CYP1A2 P05177 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
DOHH Q9BU89 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 3/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL13750598 0.81 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13729698 0.79 KDM4E (0.41) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL3108835 0.79 NPC1 (0.54) KDM4EL3MBTL1TDP1TP53ALOX15
SCHEMBL29682665 0.77 KDM4E (0.37) KDM4ELMNAPOLBSMN1; SMN2NPC1
SCHEMBL24697495 0.77 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL31540362 0.77 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1743706 0.74 DYRK1A (0.54) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL11468359 0.74 AHR (0.52) CCR1CCR5CCR8KDM4EMETAP1
SCHEMBL4024019 0.74 F2RL3 (0.46) KDM4EPOLBL3MBTL1TP53NPC1
SCHEMBL23992874 0.74 CCR1 (0.44) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CCR1 271/4885CCR5 337/4885CCR8 648/4885

“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.