SCHEMBL3045625

SCHEMBL3045625

COC(=O)CNc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 4/20 0.44
CCR2 P41597 1/20 0.44
CCR5 P51681 1/20 0.44
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CDKN1A P38936 1/20 0.40
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL3060981 0.89 MAPT (0.44) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL5539670 0.87 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3052141 0.81 KDM4E (0.55) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3051396 0.81 TP53 (0.55) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3048542 0.79 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3054891 0.78 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3050864 0.78 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3059036 0.78 TP53 (0.53) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3051775 0.77 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3041848 0.77 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2HTT

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 MEN1 35/4885KMT2A 3960/4885MAPT 3908/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A MEN1 37/4885KMT2A 4211/4885MAPT 4220/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 MEN1 35/4885KMT2A 3960/4885MAPT 3908/4885

“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.