SCHEMBL1998044

SCHEMBL1998044

CCN(C)Cc1cnn(-c2cc(F)c(-c3ccc(F)cc3)c(F)c2)c1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.38
MAPT P10636 2/20 0.37
DHODH Q02127 2/20 0.37
PTGS1 P23219 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.32
ADORA2A P29274 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL1998756 0.84 NR3C1 (0.36) FLT3MAPTPTGS1GRIN1GRIN2A
SCHEMBL2007394 0.83 PTGS1 (0.34) FLT3MAPTPTGS1GRIN1GRIN2A
SCHEMBL1999584 0.83 SMO (0.38) FLT3MAPTDHODHADORA2A
SCHEMBL2003303 0.82 HTR7 (0.38) FLT3MAPTPTGS1GRIN1GRIN2A
SCHEMBL1995720 0.81 SMO (0.38) FLT3MAPTDHODH
SCHEMBL5227418 0.79 PTGS1 (0.38) FLT3MAPTPTGS1TP53SMN1; SMN2
SCHEMBL5226500 0.78 PTGS1 (0.36) FLT3MAPTPTGS1TP53SMN1; SMN2
SCHEMBL5226521 0.76 PTGS1 (0.35) FLT3MAPTPTGS1TP53SMN1; SMN2
SCHEMBL2003024 0.75 HTR2C (0.37) FLT3DHODHADORA2A
SCHEMBL5230496 0.74 PTGS1 (0.37) FLT3MAPTPTGS1TP53SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 US disclosed
EP-1611094-A1 PYRAZOLE COMPOUNDS MERCK PATENT GmbH (DE) 2006-01-04 EP disclosed
WO-2004089888-A1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2004-10-21 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A FLT3 862/4885MAPT 2121/4885DHODH 3220/4885

“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.