SCHEMBL10330278

SCHEMBL10330278

Cc1c(-c2ccccn2)nn(Cc2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.44
MCL1 Q07820 2/20 0.44
TGFBR1 P36897 1/20 0.43
MAPK14 Q16539 1/20 0.43
PDE5A O76074 2/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15627186 0.75 L3MBTL1 (0.48) KDM4EL3MBTL1PDE5AGAANPC1
SCHEMBL10330277 0.75 PDE5A (0.51) KDM4EL3MBTL1POLBPDE5A
SCHEMBL12281117 0.74 KDM4E (0.69) KDM4EL3MBTL1POLBGAANPC1
SCHEMBL15627187 0.73 ALDH1A1 (0.48) KDM4EL3MBTL1PDE5AGAANPC1
SCHEMBL16200049 0.72 ADORA2A (0.49) KDM4EPOLBNPC1ADORA2AADORA1
SCHEMBL8315067 0.72 NR1H3 (0.56) KDM4EL3MBTL1PDE5AGAANPC1
SCHEMBL16682513 0.71 ALDH1A1 (0.42) POLBMCL1TGFBR1NPC1DRD2
SCHEMBL16535774 0.71 ALDH1A1 (0.52) L3MBTL1MCL1TGFBR1MAPK14PDE5A
SCHEMBL16535996 0.71 MCL1 (0.45) KDM4EL3MBTL1MCL1TGFBR1MAPK14
SCHEMBL16535671 0.71 MCL1 (0.45) L3MBTL1MCL1TGFBR1MAPK14PDE5A

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-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 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 (3 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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885L3MBTL1 4623/4885POLB 2682/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885L3MBTL1 4623/4885POLB 2682/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885L3MBTL1 4623/4885POLB 2682/4885

“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.