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
SCHEMBL4899326 0.83 PDGFRB (0.56) ABL1
SCHEMBL4903298 0.83 ABL1 (0.59) TRPV1ABL1SMN1; SMN2
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.

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