SCHEMBL5019548

SCHEMBL5019548

Fc1ccccc1Cn1nc(-c2cnccn2)nc1-c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
TERT O14746 1/20 0.39
TGFBR1 P36897 1/20 0.39
TGFBR2 P37173 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GUCY1B2 O75343 3/20 0.36
GUCY1A2 P33402 3/20 0.36
GUCY1A1 Q02108 3/20 0.36
GUCY1B1 Q02153 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5019554 0.96 NPC1 (0.42) NPC1PKMRAB9ATERTTGFBR1
SCHEMBL5019633 0.88 NPC1 (0.43) NPC1RAB9AMAPTNPSR1L3MBTL1
SCHEMBL5019629 0.86 ADORA2A (0.43) NPC1RAB9ATGFBR1TGFBR2MAPT
SCHEMBL5019576 0.86 MAPT (0.41) MAPTNPSR1L3MBTL1ADORA2AADORA1
SCHEMBL5019550 0.85 GUCY1B2 (0.40) TGFBR1TGFBR2MAPTNPSR1ADORA2A
SCHEMBL4561518 0.84 MAPT (0.39) MAPTNPSR1ADORA2AADORA1GUCY1B2
SCHEMBL4560653 0.84 GUCY1B2 (0.41) NPC1RAB9AMAPTNPSR1L3MBTL1
SCHEMBL5019586 0.84 GUCY1B2 (0.39) TGFBR1TGFBR2MAPTNPSR1L3MBTL1
SCHEMBL4562184 0.82 GUCY1B2 (0.38) TGFBR1TGFBR2MAPTNPSR1ADORA2A
SCHEMBL5019700 0.81 ADORA2A (0.46) NPC1RAB9AMAPTNPSR1ADORA2A

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
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 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 (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-20150250795-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 2967/4885PKM 1082/4885RAB9A 2039/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 3154/4885PKM 1149/4885RAB9A 2122/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 2967/4885PKM 1082/4885RAB9A 2039/4885

“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.