SCHEMBL2200984

SCHEMBL2200984

CCOC(=O)c1c(-c2cncnc2)nn(-c2ccc(Br)c(C(F)(F)F)c2)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.41
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC34A1 Q06495 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
P2RY12 Q9H244 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2202640 0.87 MEN1 (0.46) DHODHALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2200666 0.83 LMNA (0.48) PDE4DALDH1A1KDM4ESMN1; SMN2PDE4B
SCHEMBL2202525 0.81 PDE4D (0.47) PDE4DALDH1A1KDM4EHPGDPDE4B
SCHEMBL2201325 0.77 L3MBTL3 (0.40) L3MBTL1CYP2C9
SCHEMBL2201690 0.75 SPR (0.34)
SCHEMBL2199963 0.74 PDE4D (0.62) PDE4DALDH1A1PDE4BL3MBTL1SLC34A1
SCHEMBL2198107 0.72 MAPT (0.50) PDE4DALDH1A1KDM4ESMN1; SMN2PDE4B
SCHEMBL2200742 0.71 POLB (0.46) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL2200824 0.70 PDE4D (0.47) PDE4DALDH1A1KDM4EHPGDPDE4B
SCHEMBL6470216 0.70 ALDH1A1 (0.53) PDE4DDHODHALDH1A1KDM4EHPGD

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PDE4D 814/4885DHODH 4037/4885ALDH1A1 1476/4885

“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.