SCHEMBL5776640

SCHEMBL5776640

O=C(Cl)Oc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
CYP1A2 P05177 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 5/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 7/20 0.47
LMNA P02545 1/20 0.47
GRM4 Q14833 1/20 0.47
MEN1 O00255 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
POLB P06746 1/20 0.43
MAOB P27338 3/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL2489203 0.85 KMT2A (0.60) KMT2ALMNAMEN1POLB
SCHEMBL8579809 0.83 KMT2A (0.59) KMT2ACYP1A2MAPTGAARECQL
SCHEMBL498839 0.80 LMNA (0.63) KMT2ACYP1A2MAPTGAARECQL
SCHEMBL5171388 0.80 KMT2A (0.73) KMT2ACYP1A2MAPTGAARECQL
SCHEMBL6406233 0.80 KMT2A (0.56) KMT2ACYP1A2MAPTGAARECQL
SCHEMBL16520280 0.78 KMT2A (0.52) KMT2ALMNAMEN1POLB
SCHEMBL8165449 0.78 CYP3A4 (0.66) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL3884023 0.78 BCHE (0.50) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL25287220 0.77 KMT2A (0.53) KMT2ACYP1A2MAPTGAARECQL
SCHEMBL5070959 0.77 KMT2A (0.53) KMT2ACYP1A2MAPTGAARECQL

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
EP-1436292-B1 5-METHOXY-8-ARYL-¬1,2,4|TRIAZOLO¬1,5-A|PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-08-30 EP disclosed
EP-1436292-A1 5-METHOXY-8-ARYL-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed
US-20030134873-A1 Adenosine receptor ligands F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003031445-A1 5-METHOXY-8-ARYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-04-17 WO disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
CN-1077952-A CARBAMATE DERIVATIVES GLAXO SPA (IT) 1993-11-03 CN disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 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 (1 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-20030134873-A1 Adenosine receptor ligands ADORA1, ADORA2A, ADORA3 KMT2A 3181/4885CYP1A2 579/4885MAPT 4867/4885

“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.