SCHEMBL4560192

SCHEMBL4560192

NC(=O)c1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.44
ADORA1 P30542 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
KDM5B Q9UGL1 3/20 0.43
KDM5A P29375 2/20 0.43
KDM4A O75164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
BUB1 O43683 3/20 0.38
GUCY1B2 O75343 2/20 0.37
GUCY1A2 P33402 2/20 0.37
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
OPRK1 P41145 1/20 0.37
MYC P01106 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 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
SCHEMBL5019580 0.87 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BKDM5B
SCHEMBL4562647 0.85 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BKDM5B
SCHEMBL5019689 0.83 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BGUCY1B2
SCHEMBL4562063 0.82 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BBUB1
SCHEMBL5019563 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BBUB1
SCHEMBL5019595 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BBUB1
SCHEMBL4562589 0.80 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BGUCY1B2
SCHEMBL5019606 0.79 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BKDM5B
SCHEMBL4558946 0.79 GUCY1B2 (0.44) ADORA2AADORA1ADORA3ADORA2BGUCY1B2
SCHEMBL5019575 0.79 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BGUCY1B2

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 17 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
EP-2637659-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 WO 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 1980/4885ADORA3 2854/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ADORA2A 1536/4885ADORA1 1758/4885ADORA3 2643/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ADORA2A 1750/4885ADORA1 1980/4885ADORA3 2854/4885

“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.