SCHEMBL4905329

SCHEMBL4905329

CN1CCN(CC(=O)Nc2ccc(Nc3nccc(-c4ccncc4)n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.68
HDAC1 Q13547 7/20 0.68
HDAC6 Q9UBN7 7/20 0.68
MET P08581 1/20 0.54
JAK3 P52333 5/20 0.51
JAK1 P23458 2/20 0.50
MGLL Q99685 1/20 0.50
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
SYK P43405 1/20 0.49
CAMK2D Q13557 1/20 0.49
TYK2 P29597 1/20 0.49
IKBKB O14920 1/20 0.48

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
SCHEMBL4891563 0.90 JAK2 (0.64) JAK2HDAC1HDAC6METJAK3
SCHEMBL4903153 0.88 ABL1 (0.63) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL4903416 0.88 JAK2 (0.62) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4903720 0.87 ALDH1A1 (0.60) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4896995 0.85 JAK2 (0.60) JAK2HDAC1HDAC6METSYK
SCHEMBL4901725 0.83 ABL1 (0.72) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL4903667 0.82 PTK2 (0.53) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4894465 0.82 ABL1 (0.73) JAK2HDAC1HDAC6ABL1PDGFRB
SCHEMBL4900802 0.80 CAMK2D (0.60) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4903276 0.80 ABL1 (0.77) ABL1PDGFRBBCRSRCPDGFRA

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.