SCHEMBL3053645

SCHEMBL3053645

Clc1ccc(Nc2nc3nonc3nc2Oc2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 5/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
POLB P06746 1/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.37
EPHA2 P29317 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL3051396 0.83 TP53 (0.55) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL3049342 0.83 HSP90AA1 (0.43) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3054891 0.81 MAPT (0.49) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL3050529 0.80 EPHX2 (0.41) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6418253 0.77 MAPT (0.50) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL3058473 0.77 MAPT (0.48) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL3059036 0.77 TP53 (0.53) SMN1; SMN2MAPTMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL4262270 0.76 MAPT (0.53) SMN1; SMN2MAPTMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL6421068 0.76 MAPT (0.49) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL3055646 0.76 TP53 (0.58) SMN1; SMN2MAPTMEN1HTTKMT2A

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 SMN1; SMN2 243/4885MAPT 3908/4885MEN1 35/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A SMN1; SMN2 247/4885MAPT 4220/4885MEN1 37/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 SMN1; SMN2 243/4885MAPT 3908/4885MEN1 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.