SCHEMBL3045605

SCHEMBL3045605

CN1CCN(c2nc3nonc3nc2N2CCN(C)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 6/20 0.64
LMNA P02545 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH4 Q9H3N8 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 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
SCHEMBL6884684 0.75 ALOX15 (0.60) ALOX15CYP1A2CYP2C19LMNATSHR
SCHEMBL10386301 0.65 HRH4 (0.61) ALOX15CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27082996 0.64 HRH4 (0.59) KMT2AHRH4HTR3A
SCHEMBL17822441 0.64 HRH4 (0.59) HRH4
SCHEMBL2166511 0.63 HRH4 (0.53) ALOX15HRH4
SCHEMBL27863030 0.63 ALOX15 (0.46) ALOX15CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL3675952 0.62 HRH4 (0.56) ALOX15CYP1A2ALDH1A1HRH4
SCHEMBL25124628 0.61 HRH4 (0.46) ALOX15KMT2AHRH4HTR3EHTR3B
SCHEMBL22629440 0.61 ALOX15 (0.44) ALOX15CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3426540 0.60 HRH4 (0.49) ALOX15KMT2AHRH4HTR3A

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 ALOX15 595/4885CYP1A2 1078/4885CYP2C19 1804/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A ALOX15 341/4885CYP1A2 459/4885CYP2C19 909/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 ALOX15 595/4885CYP1A2 1078/4885CYP2C19 1804/4885

“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.