SCHEMBL10156707

SCHEMBL10156707

O=C(CO)N[C@H]1C[C@@H](n2cnc3c(N[C@H]4CC[C@H](NC(=O)N[C@H]5CC[C@H](Nc6nc(Cl)nc7c6ncn7[C@@H]6C[C@H](NC(=O)CO)[C@@H](O)[C@H]6O)CC5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.54
ADORA1 P30542 11/20 0.54
ADORA2A P29274 9/20 0.54
ADORA2B P29275 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10158773 0.96 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10194938 0.94 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3026932 0.93 ADORA3 (0.59) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156799 0.92 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156671 0.92 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10156788 0.91 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156761 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2A
SCHEMBL10156738 0.90 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156717 0.89 ADORA3 (0.49) ADORA3ADORA1ADORA2A
SCHEMBL10194326 0.87 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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 (1 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA3 1044/4885ADORA1 697/4885ADORA2A 1137/4885

“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.