SCHEMBL4709552

SCHEMBL4709552

O=C(Nc1ccc(NCCO)cc1)c1nccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.50
BRD4 O60885 1/20 0.49
NPC1 O15118 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTK2 Q05397 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL14066562 0.89 RAB9A (0.49) RAB9ASMN1; SMN2KMT2ALMNABRD4
SCHEMBL28764679 0.83 L3MBTL1 (0.66) RAB9ASMN1; SMN2KMT2ABRD4NPC1
SCHEMBL29837506 0.83 L3MBTL1 (0.66) RAB9ASMN1; SMN2KMT2ABRD4NPC1
SCHEMBL4710501 0.81 RAB9A (0.42) RAB9ASMN1; SMN2KMT2ALMNABRD4
SCHEMBL18070961 0.81 KDR (0.46) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL4875148 0.81 RAB9A (0.41) RAB9ASMN1; SMN2KMT2ALMNABRD4
SCHEMBL29738593 0.78 KMT2A (0.60) RAB9ASMN1; SMN2KMT2ABRD4NPC1
SCHEMBL29738591 0.78 KMT2A (0.60) RAB9ASMN1; SMN2KMT2ABRD4NPC1
SCHEMBL3001084 0.78 KMT2A (0.60) RAB9ASMN1; SMN2KMT2ABRD4NPC1
SCHEMBL28283804 0.77 L3MBTL1 (0.54) RAB9ASMN1; SMN2KMT2ALMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD RAB9A 2986/4885SMN1; SMN2 4055/4885KMT2A 1950/4885

“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.