SCHEMBL4905540

SCHEMBL4905540

O=C(Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.62
BCR P11274 2/20 0.62
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
CAMK2D Q13557 4/20 0.61
NT5E P21589 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPK1 P28482 1/20 0.59
PIK3CA P42336 2/20 0.57
PIK3CB P42338 2/20 0.57
PIK3CG P48736 2/20 0.57
SRC P12931 1/20 0.57
PRKCA P17252 1/20 0.57
PRKCD Q05655 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
IKBKB O14920 1/20 0.55
JAK2 O60674 2/20 0.54
HDAC1 Q13547 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54

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
SCHEMBL14021027 0.97 CAMK2D (0.67) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL14021028 0.94 PIK3CA (0.64) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL14021038 0.90 CAMK2D (0.71) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL14021033 0.90 AURKA (0.62) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL9519 0.89 ABL1 (0.74) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL4905733 0.89 PDGFRA (0.77) ABL1BCRPDGFRBPDGFRAKMT2A
SCHEMBL14021032 0.89 PDGFRA (0.62) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL4897327 0.88 CAMK2D (0.61) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL4903404 0.88 JAK2 (0.68) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL4905591 0.88 PDGFRA (0.64) ABL1BCRPDGFRBPDGFRACAMK2D

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 ABL1 2843/4885BCR 2315/4885PDGFRB 299/4885

“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.