SCHEMBL4903667

SCHEMBL4903667

CCOC(=O)C1CCN(CC(=O)Nc2ccc(Nc3nccc(-c4ccncc4)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.53
JAK2 O60674 11/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
JAK3 P52333 4/20 0.44
JAK1 P23458 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4900835 0.92 LMNA (0.50) PTK2JAK2HDAC1HDAC6LMNA
SCHEMBL4892565 0.90 ABL1 (0.54) PTK2LMNAKDM4ESMN1; SMN2
SCHEMBL4903752 0.87 PTK2 (0.56) PTK2JAK2HDAC1HDAC6LMNA
SCHEMBL4903720 0.87 ALDH1A1 (0.60) JAK2HDAC1HDAC6LMNAKDM4E
SCHEMBL4901373 0.84 ABL1 (0.59) LMNAKDM4E
SCHEMBL4904891 0.83 ABL1 (0.61) LMNAJAK3
SCHEMBL13595583 0.83 LMNA (0.65) LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL4905329 0.82 JAK2 (0.68) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4903416 0.81 JAK2 (0.62) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4900317 0.80 DRD2 (0.51) PTK2JAK2HDAC1HDAC6LMNA

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 PTK2 3521/4885JAK2 1695/4885HDAC1 4522/4885

“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.