SCHEMBL2992373

SCHEMBL2992373

C#CCNC(=O)Nc1scc(C)c1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
MAPK8 P45983 3/20 0.45
MAPK9 P45984 3/20 0.45
MAPK10 P53779 3/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NPSR1 Q6W5P4 5/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
GSTO1 P78417 1/20 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
SCHEMBL2984306 0.87 ALDH1A1 (0.52) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL2979294 0.84 LMNA (0.48) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL2991353 0.83 MEN1 (0.55) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL2989345 0.82 LMNA (0.51) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL10731479 0.82 ALDH1A1 (0.51) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL2993917 0.82 NPSR1 (0.46) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL18097642 0.82 LMNA (0.46) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL18097073 0.81 MAPT (0.45) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL5034355 0.81 GSTO1 (0.48) MEN1KMT2AATMMAPK8MAPK9
SCHEMBL18096913 0.81 ALDH1A1 (0.45) MEN1KMT2AATMMAPK8MAPK9

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-7776868-B2 Substituted bicyclic and tricyclic thieno[2,3-d]pyrimidines as A2A adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-08-17 US disclosed
EP-2121705-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2009-11-25 EP disclosed
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-08-07 US disclosed
WO-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 WO 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-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 MEN1 4883/4885KMT2A 1469/4885ATM 1589/4885

“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.