SCHEMBL4122820

SCHEMBL4122820

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccc(OC)c(OC)c4)c4ccc(OC)c(OC)c4)nc(N4CC[C@@H](NC(=O)N[C@@H]5CCNC5)C4)nc32)[C@H](OC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.41
ADORA3 P0DMS8 7/20 0.41
SYK P43405 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KARS1 Q15046 1/20 0.32

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
SCHEMBL4110915 0.93 ADORA2A (0.42) ADORA2AADORA3HRH4HRH3
SCHEMBL4121487 0.93 ADORA2A (0.42) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL4122816 0.93 ADORA2A (0.46) ADORA2AADORA3SYKHRH4HRH3
SCHEMBL241435 0.93 ADORA2A (0.47) ADORA2AADORA3
SCHEMBL4122715 0.92 ADORA2A (0.44) ADORA2AADORA3
SCHEMBL4129318 0.91 ADORA2A (0.45) ADORA2AADORA3
SCHEMBL1402054 0.88 ADORA2A (0.42) ADORA2AADORA3HRH4HRH3
SCHEMBL1402087 0.88 ADORA2A (0.43) ADORA2AADORA3HRH4HRH3
SCHEMBL2091170 0.87 ADORA2A (0.36) ADORA2AADORA3HRH4HRH3
SCHEMBL1402084 0.87 ADORA2A (0.36) ADORA2AADORA3HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ADORA2A 2082/4885ADORA3 554/4885SYK 2399/4885

“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.