SCHEMBL3052199

SCHEMBL3052199

CC(Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 5/20 0.45
CCR2 P41597 1/20 0.45
CCR5 P51681 1/20 0.45
POLB P06746 1/20 0.41
P2RX3 P56373 1/20 0.39
LMNA P02545 2/20 0.38
KMO O15229 1/20 0.38
APEX1 P27695 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL10276991 0.85 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051396 0.82 TP53 (0.55) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051775 0.81 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5539670 0.79 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3059036 0.79 TP53 (0.53) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5532993 0.78 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5534949 0.78 FPR2 (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3048435 0.78 NOS2 (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3048432 0.78 NOS2 (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3055646 0.77 TP53 (0.58) MAPTSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 MAPT 3908/4885SMN1; SMN2 243/4885MEN1 35/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A MAPT 4220/4885SMN1; SMN2 247/4885MEN1 37/4885

“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.