SCHEMBL5478669

SCHEMBL5478669

O=C(O)c1cc(-c2ccncc2)n(-c2cccc(F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RPA1 P27694 8/20 0.62
PPP1CA P62136 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
BCL2 P10415 2/20 0.49
MDM2 Q00987 2/20 0.49
MCL1 Q07820 2/20 0.49
MARS1 P56192 2/20 0.49

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
SCHEMBL1987609 0.86 RPA1 (0.82) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL5474891 0.85 PTGS2 (0.54) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL16876788 0.84 RPA1 (0.58) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL16876800 0.83 MEN1 (0.60) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL9210302 0.82 RPA1 (0.57) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL16876850 0.82 MEN1 (0.58) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL5483244 0.80 TAAR1 (0.50) MEN1KMT2ASMN1; SMN2MARS1
SCHEMBL27714729 0.80 KMT2A (0.89) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL16876785 0.80 MARS1 (0.57) MEN1KMT2ARPA1PPP1CAL3MBTL1
SCHEMBL954786 0.79 KMT2A (0.50) MEN1KMT2ARPA1PPP1CAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225335-A1 Pyrazole Derivatives for Treating Condit Ions Mediated by Activation of the Adeno Sine A2B or A3 Receptor NOVARTIS AG (CH) 2007-09-27 US disclosed
CN-101001626-A Pyrazole derivatives for treating conditions mediated by activation of the adenosine A2b or A3 receptor NOVARTIS AG (CH) 2007-07-18 CN disclosed
EP-1799206-A2 PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR Novartis AG (CH) 2007-06-27 EP disclosed
WO-2006015860-A2 PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR NOVARTIS AG (CH) 2006-02-16 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-20070225335-A1 Pyrazole Derivatives for Treating Condit Ions Mediated by Activation of the Adeno Sine A2B or A3 Receptor ADORA3, ADORA2B, ADORA1 MEN1 4248/4885KMT2A 1160/4885RPA1 1875/4885

“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.