SCHEMBL1970075

SCHEMBL1970075

O=C(O)c1cncnc1-c1ccc(Br)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
FTO Q9C0B1 1/20 0.40
EIF4E P06730 2/20 0.37
DHODH Q02127 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1967616 0.87 KMO (0.57) KMOHCRTR1HCRTR2FTOEIF4E
SCHEMBL1966552 0.80 HCRTR1 (0.46) KMOHCRTR1HCRTR2DHODHAKR1C2
SCHEMBL6490977 0.79 CSNK2A2 (0.49) KMOCSNK2A2CSNK2BMEN1NPC1
SCHEMBL1970118 0.77 KMO (0.50) KMODHODHCSNK2A2CSNK2BMEN1
SCHEMBL16806013 0.77 KCNH2 (0.38) KMOHCRTR1HCRTR2NPC1
SCHEMBL1966535 0.76 KMO (0.49) KMOHCRTR1HCRTR2FTOCSNK2A2
SCHEMBL1970307 0.75 MCL1 (0.50) KMOHCRTR1HCRTR2MEN1NPC1
SCHEMBL1968241 0.74 LDHA (0.44) MEN1LMNAKMT2A
SCHEMBL1968017 0.73 KDM4E (0.44) CSNK2A2CSNK2BMEN1NPC1LMNA
SCHEMBL1972138 0.73 GAA (0.47) HCRTR1HCRTR2DHODHAKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMO 1349/4885HCRTR1 2/4885HCRTR2 1/4885

“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.