SCHEMBL2847441

SCHEMBL2847441

NCCCCNc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 2/20 0.43
SHMT2 P34897 1/20 0.42
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.39
KAT2B Q92831 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
POLB P06746 1/20 0.38
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MPO P05164 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL11935646 0.98 FERMT2 (0.42) FERMT2SHMT2RAB9AIDO1KAT2B
SCHEMBL12835536 0.86 FERMT2 (0.54) FERMT2SHMT2RAB9AIDO1POLB
SCHEMBL9359772 0.84 KCNH3 (0.45) SHMT2HTT
SCHEMBL30046801 0.82 SHMT2 (0.45) FERMT2SHMT2RAB9APOLBALDH1A1
SCHEMBL16224813 0.82 SOAT1 (0.45)
SCHEMBL9363853 0.81 PKM (0.43) SHMT2RAB9AALDH1A1HTTMPO
SCHEMBL21388179 0.78 SHMT2 (0.40) SHMT2RAB9AHTTGAA
SCHEMBL5225550 0.77 SHMT2 (0.44) SHMT2RAB9APOLBALDH1A1HTT
SCHEMBL1521870 0.77 PKM (0.45) FERMT2SHMT2RAB9AIDO1POLB
SCHEMBL14566075 0.75 SHMT2 (0.40) FERMT2SHMT2RAB9APOLBALDH1A1

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 FERMT2 2910/4885SHMT2 412/4885RAB9A 1937/4885
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 FERMT2 2910/4885SHMT2 412/4885RAB9A 1937/4885

“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.