SCHEMBL2200742

SCHEMBL2200742

CCOC(=O)c1c(-c2cncnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 4/20 0.44
APP P05067 1/20 0.44
ADORA1 P30542 1/20 0.44
TP53 P04637 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ELANE P08246 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.39
KMT2A Q03164 2/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL2200296 0.90 MAPT (0.46) POLBLMNAMAPTAPPADORA1
SCHEMBL2201758 0.90 SCN9A (0.42) POLBTP53NPSR1ALDH1A1ELANE
SCHEMBL2200666 0.87 LMNA (0.48) POLBLMNAMAPTAPPADORA1
SCHEMBL2200430 0.85 MAPT (0.49) POLBLMNAMAPTAPPADORA1
SCHEMBL2197308 0.83 SLC5A1 (0.41) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL2201600 0.81 MAPT (0.44) LMNAMAPTTP53CYP2C9CYP1A2
SCHEMBL2200842 0.80 NPSR1 (0.43) POLBTP53NPSR1ALDH1A1ELANE
SCHEMBL2202692 0.78 MGLL (0.40) POLBLMNANPSR1ALDH1A1MGLL
SCHEMBL2202525 0.78 PDE4D (0.47) TP53NPSR1ALDH1A1ELANEKDM4E
SCHEMBL2198464 0.77 KMT2A (0.46) POLBLMNAMAPTNPSR1SMN1; SMN2

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 POLB 4350/4885LMNA 4701/4885MAPT 4214/4885

“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.