SCHEMBL3041981

SCHEMBL3041981

NC1=C(N)N(Cc2ccc3c(c2)OCO3)c2nonc2N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.60
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSP90AA1 P07900 2/20 0.53
TRAP1 Q12931 2/20 0.53
HSP90B1 P14625 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 3/20 0.49
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL1080694 0.73 CMA1 (0.76) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL5768481 0.73 CMA1 (0.76) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL1491086 0.73 CMA1 (0.56) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL108678 0.72 KDM4E (0.70) CMA1KMT2ATSHRKDM4EMAPK1
SCHEMBL3055312 0.70 CMA1 (0.57) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL19500873 0.70 KMT2A (1.00) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL7779209 0.70 KDM4E (0.61) KMT2AKDM4EMAPK1TAAR1MEN1
SCHEMBL5210614 0.70 TAAR1 (0.53) CMA1PKMKDM4EMAPK1L3MBTL1
SCHEMBL19500864 0.70 KDM4E (0.65) CMA1KMT2ATSHRPKMSMN1; SMN2
SCHEMBL11618128 0.70 CMA1 (0.56) CMA1KMT2ATSHRPKMSMN1; SMN2

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
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
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 CMA1 3440/4885KMT2A 3960/4885TSHR 4136/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 CMA1 3440/4885KMT2A 3960/4885TSHR 4136/4885

“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.