SCHEMBL4053852

SCHEMBL4053852

Cc1cc2ccn(C(=O)O)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.38
KMO O15229 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MCL1 Q07820 3/20 0.35
NOTUM Q6P988 3/20 0.35
CCR2 P41597 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
TFPI2 P48307 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PHGDH O43175 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
SCHEMBL4988920 0.86 OXER1 (0.42) OXER1KMONOTUMCCR2SLC22A12
SCHEMBL4052956 0.80 DAO (0.37) OXER1CYP11B1CYP11B2NOTUMTFPI2
SCHEMBL5634574 0.77 HTR2A (0.46) OXER1KMOCCR2SLC22A12TFPI2
SCHEMBL27548082 0.76 ALKBH5 (0.36) CYP11B1CYP11B2NOTUMTFPI2
SCHEMBL4045901 0.76 OXER1 (0.39) OXER1KMOCCR2SLC22A12TFPI2
SCHEMBL28661724 0.74 OXER1 (0.63) OXER1KMOMCL1NOTUMCCR2
SCHEMBL6901863 0.74 TFPI2 (0.55) OXER1CYP11B1CYP11B2NOTUMTFPI2
SCHEMBL5622574 0.74 FABP4 (0.45) OXER1KMONOTUMTFPI2TSHR
SCHEMBL2659180 0.74 OXER1 (0.63) OXER1KMONOTUMCCR2TSHR
SCHEMBL18876201 0.73 PRKCI (0.50) L3MBTL1

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 OXER1 358/4885KMO 505/4885CYP11B1 2034/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 OXER1 307/4885KMO 451/4885CYP11B1 1727/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 OXER1 501/4885KMO 361/4885CYP11B1 1555/4885

“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.