SCHEMBL3051668

SCHEMBL3051668

c1ccc2c(Nc3nc4nonc4nc3N3CCOCC3)cccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 6/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.43
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3048490 0.87 LMNA (0.60) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15614697 0.82 LMNA (0.84) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3040678 0.74 EPHX2 (0.56) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3049310 0.72 CDK2 (0.46) LMNAKDM4ERAB9AHTT
SCHEMBL3061283 0.71 LMNA (0.58) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3049996 0.71 CYP1A2 (0.69) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3050959 0.70 ALDH1A1 (0.67) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5533853 0.68 EPHX2 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3500290 0.68 LMNA (0.61) LMNACYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3049443 0.68 MAPT (0.49) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A

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.