SCHEMBL12701320

SCHEMBL12701320

O=Cc1cnc(C2CCCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.33
ADH1C P00326 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADH4 P08319 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
HDAC4 P56524 1/20 0.30
CSNK1D P48730 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
SCHEMBL15129512 0.91 HDAC4 (0.35) L3MBTL1KDM4EALDH1A1HDAC4
SCHEMBL620467 0.73 L3MBTL1 (0.38) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL6228239 0.72 ALDH1A1 (0.38) KDM4EALDH1A1HDAC4
SCHEMBL31722581 0.71 TDO2 (0.41) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL12791705 0.71 L3MBTL1 (0.34) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL24755952 0.71 TDO2 (0.36) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL11227546 0.71 ESR2 (0.35) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL12457538 0.71 MAPK1 (0.37) L3MBTL1
SCHEMBL11230605 0.71 DEGS1 (0.37) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL587429 0.71 HDAC4 (0.33) L3MBTL1KDM4EALDH1A1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 ADH1A 4093/4885ADH1C 4715/4885L3MBTL1 4812/4885

“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.