SCHEMBL5019693

SCHEMBL5019693

Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GUCY1B2 O75343 2/20 0.39
GUCY1A2 P33402 2/20 0.39
GUCY1A1 Q02108 2/20 0.39
GUCY1B1 Q02153 2/20 0.39
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 3/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL4561975 0.85 ADORA2A (0.46) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL4561661 0.83 RAB9A (0.44) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL5019650 0.83 ADORA2A (0.45) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL5019581 0.82 NPC1 (0.50) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL5019692 0.81 ADORA2A (0.46) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL4561759 0.81 ALDH1A1 (0.47) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL5019574 0.81 ALDH1A1 (0.49) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL4562161 0.81 NPC1 (0.49) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL15627123 0.81 NPC1 (0.49) ADORA2AADORA1NPC1RAB9AALDH1A1
SCHEMBL5019571 0.79 ALDH1A1 (0.52) ADORA2AADORA1NPC1RAB9AALDH1A1

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 16 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-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP 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-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-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
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
CN-103402515-A Sgc stimulators IRONWOOD PHARMACEUTICALS INC 2013-11-20 CN 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 ADORA2A 1750/4885ADORA1 1980/4885NPC1 2967/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ADORA2A 1536/4885ADORA1 1758/4885NPC1 3154/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ADORA2A 1750/4885ADORA1 1980/4885NPC1 2967/4885

“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.