SCHEMBL4902913

SCHEMBL4902913

O=C(CN1CCOCC1)Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.57
BCR P11274 4/20 0.57
JAK2 O60674 6/20 0.56
JAK3 P52333 5/20 0.56
JAK1 P23458 3/20 0.56
ABL2 P42684 1/20 0.55
SRC P12931 3/20 0.53
PRKCA P17252 2/20 0.53
PRKCD Q05655 2/20 0.53
SMG1 Q96Q15 5/20 0.53
CDK1 P06493 3/20 0.53
CDK2 P24941 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
TYK2 P29597 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
MTOR P42345 1/20 0.51

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
SCHEMBL4897217 0.92 ABL1 (0.68) ABL1BCRJAK2JAK3JAK1
SCHEMBL4903416 0.90 JAK2 (0.62) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4891563 0.89 JAK2 (0.64) ABL1BCRJAK2JAK3ABL2
SCHEMBL4903833 0.87 SYK (0.57) ABL1BCRJAK2JAK3JAK1
SCHEMBL8349109 0.86 JAK2 (0.61) ABL1BCRJAK2JAK3JAK1
SCHEMBL4382875 0.86 JAK2 (0.63) ABL1BCRJAK2JAK3JAK1
SCHEMBL4901309 0.86 ABL1 (0.52) ABL1BCRJAK2JAK3SRC
SCHEMBL4900880 0.85 ABL1 (0.54) ABL1BCRJAK3ABL2SRC
SCHEMBL14348363 0.85 JAK2 (0.64) JAK2JAK3JAK1SMG1ALDH1A1
SCHEMBL13924584 0.84 SYK (0.53) ABL1BCRJAK2JAK3JAK1

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 2315/4885JAK2 1695/4885

“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.