SCHEMBL4052956

SCHEMBL4052956

Cc1cc2ccn(C(=O)O)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NOTUM Q6P988 1/20 0.35
TFPI2 P48307 3/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
GRIN2B Q13224 1/20 0.33
OXER1 Q8TDS5 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
SCHEMBL4053852 0.80 OXER1 (0.38) CYP11B1CYP11B2NOTUMTFPI2TSHR
SCHEMBL5634574 0.80 HTR2A (0.46) TFPI2HTR2AHTR2CTSHRRAB9A
SCHEMBL27548082 0.80 ALKBH5 (0.36) CYP11B1CYP11B2NOTUMTFPI2
SCHEMBL579194 0.77 TFPI2 (0.34) NOTUMTFPI2HTR2AHTR2CTSHR
SCHEMBL26683704 0.77 MAPT (0.35) NOTUMTFPI2HTR2AHTR2CTSHR
SCHEMBL4047939 0.76 HTR2A (0.34) TFPI2HTR2AHTR2CTSHRRAB9A
SCHEMBL18912167 0.76 GRIN2B (0.52) HTR2AHTR2CGRIN2B
SCHEMBL5622574 0.74 FABP4 (0.45) NOTUMTFPI2HTR2AHTR2CTSHR
SCHEMBL29798163 0.74 FABP4 (0.45) NOTUMTFPI2HTR2AHTR2CTSHR
SCHEMBL18498836 0.74 FABP4 (0.45) NOTUMTFPI2HTR2AHTR2CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589097-B2 Triazol[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-09-15 US disclosed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-09-25 US disclosed
US-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 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 (3 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-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 DAO 1180/4885CYP11B1 2034/4885CYP11B2 1776/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 DAO 931/4885CYP11B1 1727/4885CYP11B2 1543/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 DAO 859/4885CYP11B1 1555/4885CYP11B2 1133/4885

“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.