SCHEMBL3061283

SCHEMBL3061283

Clc1ccc(Nc2nc3nonc3nc2N2CCOCC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
MCL1 Q07820 1/20 0.44
TP53 P04637 1/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHA2 P29317 1/20 0.42
KDR P35968 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
SCHEMBL3050959 0.91 ALDH1A1 (0.67) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3056104 0.82 PIK3CD (0.48) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3051396 0.80 TP53 (0.55) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13310279 0.75 SYK (0.54) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3058473 0.74 MAPT (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3059036 0.74 TP53 (0.53) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6418253 0.74 MAPT (0.50) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3052187 0.74 HTT (0.57) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3054880 0.73 LMNA (0.43) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3054883 0.73 LMNA (0.43) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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
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
EP-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP disclosed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 LMNA 1432/4885ALDH1A1 953/4885CYP1A2 1078/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A LMNA 1452/4885ALDH1A1 449/4885CYP1A2 459/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 LMNA 1432/4885ALDH1A1 953/4885CYP1A2 1078/4885

“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.