SCHEMBL4900835

SCHEMBL4900835

CCOC(=O)C1CCN(CC(=O)Nc2cccc(Nc3nccc(-c4ccncc4)n3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
JAK2 O60674 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ABL1 P00519 7/20 0.49
SRC P12931 5/20 0.49
PDGFRB P09619 4/20 0.49
PDGFRA P16234 4/20 0.49
ALDH1A1 P00352 2/20 0.49
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BCR P11274 6/20 0.49
HSD17B10 Q99714 1/20 0.49
PTK2 Q05397 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4901373 0.93 ABL1 (0.59) LMNAKDM4EABL1SRCPDGFRB
SCHEMBL4903667 0.92 PTK2 (0.53) LMNAJAK2KDM4EHDAC1HDAC6
SCHEMBL4892565 0.89 ABL1 (0.54) LMNAKDM4EABL1SRCPDGFRB
SCHEMBL4900317 0.89 DRD2 (0.51) LMNAJAK2KDM4EHDAC1HDAC6
SCHEMBL4901309 0.88 ABL1 (0.52) JAK2HDAC1HDAC6ABL1SRC
SCHEMBL4901676 0.88 JAK2 (0.54) LMNAJAK2KDM4EHDAC1HDAC6
SCHEMBL4904891 0.84 ABL1 (0.61) LMNAABL1SRCPDGFRBPDGFRA
SCHEMBL4891563 0.84 JAK2 (0.64) LMNAJAK2HDAC1HDAC6ABL1
SCHEMBL4902021 0.84 KMT2A (0.56) ABL1SRCALDH1A1PRKCAPRKCD
SCHEMBL4902913 0.82 ABL1 (0.57) JAK2HDAC1HDAC6ABL1SRC

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-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
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
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 LMNA 1955/4885JAK2 1695/4885KDM4E 2352/4885

“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.