SCHEMBL2007394

SCHEMBL2007394

CCN(C)Cc1cnn(-c2ccc(-c3ccc(F)cc3)c(Cl)c2)c1-c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
FLT3 P36888 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPK14 Q16539 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
ROCK2 O75116 1/20 0.32
NR3C1 P04150 2/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 1/20 0.31
USP7 Q93009 1/20 0.31
F2 P00734 1/20 0.31
P2RX7 Q99572 1/20 0.31
SCD5 Q86SK9 1/20 0.30

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 0.90 NR3C1 (0.36) PTGS1FLT3TP53SMN1; SMN2ADORA2A
SCHEMBL2001835 0.84 SMO (0.38) PTGS1TP53SMN1; SMN2ADORA2AMAPT
SCHEMBL1998044 0.83 FLT3 (0.38) PTGS1FLT3TP53SMN1; SMN2ADORA2A
SCHEMBL2000028 0.82 USP7 (0.39) SMN1; SMN2PIK3R1PIK3CAMAPTUSP7
SCHEMBL2003303 0.79 HTR7 (0.38) PTGS1FLT3TP53SMN1; SMN2ADORA2A
SCHEMBL5227418 0.78 PTGS1 (0.38) PTGS1FLT3TP53SMN1; SMN2NR3C1
SCHEMBL5226500 0.77 PTGS1 (0.36) PTGS1FLT3TP53SMN1; SMN2MAPK14
SCHEMBL2001019 0.76 CXCR3 (0.36) USP7F2
SCHEMBL5226521 0.75 PTGS1 (0.35) PTGS1FLT3TP53SMN1; SMN2ADORA2A
SCHEMBL12569255 0.75 SMO (0.39) PTGS1FLT3TP53SMN1; SMN2MAPT

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 2 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
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 US 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 PTGS1 964/4885FLT3 862/4885TP53 2879/4885

“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.