SCHEMBL10330288

SCHEMBL10330288

N#Cc1cc(-c2ccccc2)n(Cc2ccccc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ SLC16A3 O15427 3/20 0.44
▸ SLC16A1 P53985 3/20 0.44
▸ MCTS1 Q9ULC4 3/20 0.44
▸ GUCY1B2 O75343 4/20 0.44
▸ GUCY1A2 P33402 4/20 0.44
▸ GUCY1A1 Q02108 4/20 0.44
▸ GUCY1B1 Q02153 4/20 0.44
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL10268914 0.82 GUCY1B2 (0.48) KMT2AMEN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL17089005 0.81 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16057931 0.81 CYP1A2 (0.56) KMT2AMEN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL15087470 0.79 ADORA2A (0.46) KMT2ASLC16A3SLC16A1MCTS1GUCY1B2
SCHEMBL15069217 0.79 GUCY1B2 (0.58) KMT2AMEN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL15069128 0.79 GUCY1B2 (0.46) KMT2AMEN1SLC16A3SLC16A1MCTS1
SCHEMBL15068684 0.79 GUCY1B2 (0.48) KMT2AMEN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL15075390 0.77 ALDH1A1 (0.41) KMT2AMEN1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437381 0.75 GUCY1B2 (0.55) KMT2AMEN1SLC16A3SLC16A1MCTS1
SCHEMBL18899257 0.74 MEN1 (0.59) KMT2AMEN1SLC16A3SLC16A1MCTS1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 — — US disclosed
US-10189809-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-29 — — US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 — — US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 — — US disclosed
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 — — EP disclosed
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 — — EP disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 — — 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-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
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 (5 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 KMT2A 4149/4885MEN1 3461/4885SLC16A3 4528/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 KMT2A 4149/4885MEN1 3461/4885SLC16A3 4528/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KMT2A 4149/4885MEN1 3461/4885SLC16A3 4528/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 KMT2A 4149/4885MEN1 3461/4885SLC16A3 4528/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KMT2A 4149/4885MEN1 3461/4885SLC16A3 4528/4885

“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.

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