SCHEMBL2849515

SCHEMBL2849515

CN(CCN(C)c1ccc(F)cc1F)CCn1ccc2c(NNC(=O)c3ccco3)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.41
ALPI P09923 3/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KISS1R Q969F8 1/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ALPL P05186 2/20 0.33
ALPG P10696 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 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
SCHEMBL4381259 0.84 MAPT (0.37) HDAC1HDAC2ADORA2AADORA1ADORA3
SCHEMBL2850900 0.77 HDAC1 (0.44) HDAC1HDAC2
SCHEMBL2846026 0.73 ADA (0.51) ADAALPIHDAC1HDAC2NPC1
SCHEMBL2843175 0.72 ADORA2A (0.49) HDAC1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2847129 0.66 ADORA2A (0.41) HDAC1HDAC2ADORA2AMAPT
SCHEMBL8285072 0.65 ADA (0.58) ADAALPIHDAC1ADORA2AADORA1
SCHEMBL21659301 0.64 ADA (0.85) ADAALPIADORA2AADORA1ALPL
SCHEMBL14019391 0.64 ADORA2A (0.50) HDAC1ADORA2AADORA1
SCHEMBL872184 0.62 ADA (0.46) ADAALPINPC1RAB9AADORA2A
SCHEMBL14922346 0.62 ADORA2A (0.62) HDAC1NPC1RAB9AADORA2AADORA1

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-7723343-B2 Adenosine A2A receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-05-25 US disclosed
US-7691869-B2 Pyrrolotriazolopyrimidine derivatives, pharmaceutical compositions containing them and methods of treating conditions and diseases mediated by the adenosine A2A receptor activity KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-04-06 US disclosed
EP-2129220-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2009-12-09 EP disclosed
WO-2008121748-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT,INC. (US) 2008-10-09 WO disclosed
US-20080242672-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-10-02 US disclosed
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-10-02 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 (2 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-20080242672-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADA 44/4885ALPI 556/4885HDAC1 4098/4885
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADA 44/4885ALPI 556/4885HDAC1 4098/4885

“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.