SCHEMBL5019571

SCHEMBL5019571

Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1H3 Q13133 4/20 0.48
GAA P10253 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HTT P42858 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL5019581 0.91 NPC1 (0.50) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5019574 0.90 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5019592 0.88 LMNA (0.56) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL15627123 0.85 NPC1 (0.49) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL5019596 0.85 ADORA2A (0.48) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5019631 0.82 GUCY1B2 (0.48) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL4562514 0.82 NPC1 (0.43) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL4561929 0.82 GUCY1B2 (0.54) ALDH1A1L3MBTL1NPC1RAB9AHTT
SCHEMBL5019689 0.82 ADORA2A (0.48) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL4560662 0.82 NPC1 (0.43) ALDH1A1L3MBTL1POLBMEN1KMT2A

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 10 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
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-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 ALDH1A1 1239/4885LMNA 3520/4885L3MBTL1 4730/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ALDH1A1 1223/4885LMNA 3218/4885L3MBTL1 4772/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 ALDH1A1 1239/4885LMNA 3520/4885L3MBTL1 4730/4885

“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.