SCHEMBL1355409

SCHEMBL1355409

Fc1ccc2ncc(I)n2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
FLT3 P36888 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
TGFBR1 P36897 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
JAK2 O60674 4/20 0.35
JAK3 P52333 4/20 0.35
JAK1 P23458 3/20 0.35
CYP19A1 P11511 1/20 0.33

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
SCHEMBL28417731 0.79 FLT3 (0.49) ADORA2AFLT3PRMT5WDR77JAK2
SCHEMBL25045604 0.79 CYP1A2 (0.33)
SCHEMBL27399219 0.79 TGFBR1 (0.44) FLT3TGFBR1
SCHEMBL31051302 0.79 TGFBR1 (0.44) FLT3TGFBR1
SCHEMBL30218126 0.76 MAP3K14 (0.33) TGFBR1
SCHEMBL3325146 0.76 POLB (0.51) FLT3PRMT5WDR77
SCHEMBL13336367 0.76 CYP1A2 (0.53) KDM4EALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL1353156 0.76 TGFBR1 (0.50) ADORA2AFLT3KDM4EALDH1A1HPGD
SCHEMBL24087021 0.76 TGFBR1 (0.43) ADORA2AFLT3KDM4ECYP11B1CYP11B2
SCHEMBL16460211 0.76 ALDH1A1 (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885FLT3 1986/4885KDM4E 4203/4885

“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.