SCHEMBL3054880

SCHEMBL3054880

CC(C)[C@H](Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
ERBB2 P04626 2/20 0.40
KCNH2 Q12809 1/20 0.40
MCL1 Q07820 1/20 0.39
AVPR1A P37288 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL3054883 1.00 LMNA (0.43) LMNAEPHA2KDREPHB4MAPT
SCHEMBL3052199 0.77 MAPT (0.46) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10276991 0.74 MAPT (0.45) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3061283 0.73 LMNA (0.58) LMNAEPHA2KDRMAPTSMN1; SMN2
SCHEMBL3051396 0.73 TP53 (0.55) LMNAEPHA2KDRMAPTSMN1; SMN2
SCHEMBL10277518 0.71 MAPT (0.43) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3056104 0.71 PIK3CD (0.48) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3059036 0.70 TP53 (0.53) LMNAEPHA2KDRMAPTSMN1; SMN2
SCHEMBL3051775 0.70 MAPT (0.46) KDRMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3055242 0.70 SMN1; SMN2 (0.42) LMNAKDRMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-07-12 US claimed
US-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2010-09-02 US claimed
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-05-21 US claimed
EP-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP claimed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-07-12 US disclosed
US-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2010-09-02 US disclosed
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-05-21 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-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 LMNA 1432/4885EPHA2 2387/4885KDR 2898/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A LMNA 1452/4885EPHA2 2736/4885KDR 3420/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 LMNA 1432/4885EPHA2 2387/4885KDR 2898/4885

“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.