SCHEMBL4903416

SCHEMBL4903416

O=C(CN1CCOCC1)Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.62
JAK3 P52333 11/20 0.62
JAK1 P23458 7/20 0.62
TYK2 P29597 4/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC3 O15379 1/20 0.54
NCOR1 O75376 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PDGFRB P09619 2/20 0.52
FLT3 P36888 2/20 0.52
IKBKB O14920 1/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT1 P17948 1/20 0.52
RPS6KB1 P23443 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
MAP3K9 P80192 1/20 0.52

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
SCHEMBL14348363 0.91 JAK2 (0.64) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4902913 0.90 ABL1 (0.57) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377953 0.90 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4905329 0.88 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4900880 0.87 ABL1 (0.54) JAK3TYK2PDGFRBFLT3KIT
SCHEMBL4388941 0.86 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4383889 0.85 JAK2 (0.73) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4899494 0.85 SYK (0.57) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4382875 0.84 JAK2 (0.63) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378332 0.84 JAK2 (0.70) JAK2JAK3JAK1TYK2HDAC1

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-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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 (1 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP JAK2 1695/4885JAK3 902/4885JAK1 442/4885

“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.