SCHEMBL10155748

SCHEMBL10155748

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC(CC)CC)nc(N4CC[C@@H](NC(=O)N[C@H]5CCN(c6nc(NC(CC)CC)c7ncn([C@@H]8C[C@H](NC(=O)CC)[C@@H](O)[C@H]8O)c7n6)C5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.58
ADORA3 P0DMS8 8/20 0.58
ADORA1 P30542 2/20 0.41
EGFR P00533 5/20 0.38
TMIGD3 P0DMS9 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADORA2B P29275 1/20 0.36

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
SCHEMBL10156293 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1EGFRTMIGD3
SCHEMBL10156044 0.96 ADORA2A (0.54) ADORA2AADORA3ADORA1EGFRTMIGD3
Hydrochloric Acid SCHEMBL2883276 0.92 ADORA2A (0.57) ADORA2AADORA3ADORA1TMIGD3HTR2C
Trifluoroacetic Acid SCHEMBL1402085 0.90 ADORA2A (0.48) ADORA2AADORA3ADORA1EGFR
SCHEMBL10155765 0.89 ADORA2A (0.48) ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL292221 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1EGFR
Hydrochloric Acid SCHEMBL243031 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1EGFR
SCHEMBL10156297 0.89 ADORA2A (0.48) ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL243032 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1EGFR
SCHEMBL13267406 0.88 ADORA2A (0.46) ADORA2AADORA3EGFR

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-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
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
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 ADORA2A 1137/4885ADORA3 1044/4885ADORA1 697/4885

“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.