SCHEMBL2201600

SCHEMBL2201600

COC(=O)c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 1/20 0.40
NPY5R Q15761 2/20 0.40
CYP17A1 P05093 1/20 0.40
MGLL Q99685 1/20 0.40
ELANE P08246 1/20 0.38
SCD O00767 1/20 0.38
MC4R P32245 1/20 0.38
PHGDH O43175 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
SCHEMBL2198464 0.89 KMT2A (0.46) MAPTLMNAMAPK1KMT2AMEN1
SCHEMBL2200100 0.82 KMT2A (0.48) MAPTLMNATP53KMT2AMEN1
SCHEMBL2200742 0.81 POLB (0.46) MAPTLMNATP53KMT2AMEN1
SCHEMBL2197513 0.81 CYP2C9 (0.45) LMNAKMT2AMEN1NPSR1CYP2C9
SCHEMBL2200296 0.80 MAPT (0.46) MAPTLMNATP53MAPK1KMT2A
SCHEMBL2201760 0.78 KMT2A (0.46) MAPTLMNAMAPK1KMT2AMEN1
SCHEMBL2228817 0.76 MGLL (0.38) MAPTLMNAMAPK1KMT2AMEN1
SCHEMBL2200430 0.72 MAPT (0.49) MAPTLMNATP53MAPK1NPSR1
SCHEMBL2199944 0.72 POLB (0.53) MAPTLMNAKMT2AMEN1NPY5R
SCHEMBL2202692 0.72 MGLL (0.40) LMNAKMT2AMEN1NPSR1MGLL

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 MAPT 4214/4885LMNA 4701/4885TP53 3028/4885

“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.