SCHEMBL4048010

SCHEMBL4048010

Cc1cc(Cl)cc2ccn(C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.38
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH4 Q9H3N8 2/20 0.33
FABP3 P05413 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CCR2 P41597 2/20 0.33
HTT P42858 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
KMO O15229 1/20 0.32
NOTUM Q6P988 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4048832 0.84 RAPGEF4 (0.38) TSHRFABP4HTTNOTUMALDH1A1
SCHEMBL21625233 0.81 CYP3A4 (0.38) TSHRHTR2BCYP3A4NOTUMTHRA
SCHEMBL30988629 0.81 CYP3A4 (0.38) TSHRHTR2BCYP3A4NOTUMTHRA
SCHEMBL31549585 0.81 KDM4E (0.35) TSHRMRGPRX4NOTUMALDH1A1
SCHEMBL31549567 0.79 HSP90AA1 (0.42)
SCHEMBL4052940 0.78 TFPI2 (0.35) OXER1HRH4FABP4HTTNOTUM
SCHEMBL16401098 0.78 KMT2A (0.40) TSHRCYP3A4HTTALDH1A1SMN1; SMN2
SCHEMBL29792740 0.78 KMT2A (0.40) TSHRCYP3A4HTTALDH1A1SMN1; SMN2
SCHEMBL4045464 0.76 OXER1 (0.39) OXER1KMOALDH1A1
SCHEMBL31549593 0.75 TFPI2 (0.36) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068951-A1 COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2025-04-03 WO disclosed
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
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 EP disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (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 358/4885TSHR 219/4885HTR2A 89/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 OXER1 307/4885TSHR 185/4885HTR2A 75/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 OXER1 501/4885TSHR 244/4885HTR2A 55/4885

“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.