SCHEMBL5479653

SCHEMBL5479653

CCOC(=O)/C(=C/N(C)C)C(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 7/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 2/20 0.41
NPSR1 Q6W5P4 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
DHODH Q02127 2/20 0.38

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
SCHEMBL5479654 1.00 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL1965188 0.85 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL1012186 0.85 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL184026 0.85 DHODH (0.50) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL18017493 0.85 DHODH (0.50) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL184027 0.85 DHODH (0.50) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL29254517 0.83 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3412170 0.83 CYP11B1 (0.54) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3412173 0.83 CYP11B1 (0.54) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL11388473 0.83 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E

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 3 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
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 KMT2A 1160/4885MAPT 3851/4885MEN1 4248/4885

“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.