SCHEMBL4897416

SCHEMBL4897416

O=C(Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.53
ABL1 P00519 3/20 0.53
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
TLR7 Q9NYK1 1/20 0.50

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
SCHEMBL4903651 0.85 ABL1 (0.64) ABL1
SCHEMBL4903298 0.83 ABL1 (0.59) TRPV1ABL1SMN1; SMN2
SCHEMBL4899326 0.83 PDGFRB (0.56) ABL1
SCHEMBL6041110 0.81 ABL1 (0.57) ABL1
SCHEMBL4899630 0.80 ABL1 (0.64) ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL4901565 0.80 MEN1 (0.59) MEN1KMT2A
SCHEMBL4899553 0.78 ABL1 (0.61) ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL4904803 0.78 ABL1 (0.66) ABL1
SCHEMBL5462749 0.78 SCN10A (0.54) TRPV1ABL1GSK3AGSK3BTLR7
SCHEMBL14043504 0.77 ABL1 (0.76) ABL1

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 TRPV1 2679/4885ABL1 2843/4885MEN1 3644/4885

“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.