SCHEMBL3056104

SCHEMBL3056104

CC(=O)N1CCN(c2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
ALK Q9UM73 3/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 2/20 0.43
SYK P43405 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR2 P41597 2/20 0.42
TP53 P04637 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL3061283 0.82 LMNA (0.58) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3050959 0.76 ALDH1A1 (0.67) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3051396 0.75 TP53 (0.55) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3058473 0.72 MAPT (0.48) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL3059036 0.72 TP53 (0.53) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3051775 0.72 MAPT (0.46) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3052187 0.71 HTT (0.57) SMN1; SMN2MEN1KMT2ARAB9AMAPT
Ammonia Solution, Strong SCHEMBL4262270 0.71 MAPT (0.53) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3055646 0.71 TP53 (0.58) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3291677 0.71 JAK3 (0.55) ALKEGFRSYK

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 PIK3CD 1167/4885SMN1; SMN2 243/4885MEN1 35/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A PIK3CD 1759/4885SMN1; SMN2 247/4885MEN1 37/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 PIK3CD 1167/4885SMN1; SMN2 243/4885MEN1 35/4885

“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.