SCHEMBL4891563

SCHEMBL4891563

CN1CCN(CC(=O)Nc2cccc(Nc3nccc(-c4ccncc4)n3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.64
HDAC1 Q13547 4/20 0.64
HDAC6 Q9UBN7 4/20 0.64
ABL1 P00519 11/20 0.61
BCR P11274 8/20 0.61
SRC P12931 7/20 0.61
PDGFRB P09619 6/20 0.61
PDGFRA P16234 5/20 0.61
SYK P43405 2/20 0.61
JAK3 P52333 1/20 0.54
PRKCA P17252 2/20 0.54
PRKCD Q05655 2/20 0.54
AIMP2 Q13155 1/20 0.54
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
MET P08581 1/20 0.51
ALK Q9UM73 1/20 0.51
KIT P10721 2/20 0.49
PLK4 O00444 1/20 0.49
DDX3X O00571 1/20 0.49

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
SCHEMBL4894465 0.92 ABL1 (0.73) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4905329 0.90 JAK2 (0.68) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4902913 0.89 ABL1 (0.57) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4901676 0.88 JAK2 (0.54) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4903370 0.87 SYK (0.59) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4903153 0.86 ABL1 (0.63) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL4901309 0.86 ABL1 (0.52) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4897571 0.84 ABL1 (0.86) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL4900835 0.84 LMNA (0.50) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4895446 0.82 ABL1 (0.63) JAK2HDAC1HDAC6ABL1BCR

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 1695/4885HDAC1 4522/4885HDAC6 3230/4885

“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.