SCHEMBL10330275

SCHEMBL10330275

Cc1cc(-c2nc(N)c(N)c(N)n2)nn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ STAT3 P40763 2/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ ADORA2A P29274 3/20 0.41

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
SCHEMBL10330273 0.84 MAPT (0.46) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28109720 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL17627070 0.76 KDM4E (0.56) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28110182 0.72 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL10330277 0.72 PDE5A (0.51) KDM4ESMN1; SMN2POLBLMNA
SCHEMBL28513666 0.72 KDM4E (0.47) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL3322508 0.72 LMNA (0.61) KDM4ESMN1; SMN2MAPTGAAPOLB
SCHEMBL28109719 0.71 HDAC3 (0.64) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL25212702 0.69 KDM4E (0.47) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8034840 0.69 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 — — 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-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 (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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885SMN1; SMN2 1255/4885MAPT 4837/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885SMN1; SMN2 1255/4885MAPT 4837/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KDM4E 2445/4885SMN1; SMN2 1255/4885MAPT 4837/4885

“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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