SCHEMBL2000028

SCHEMBL2000028

CN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)c(Cl)c3)c2-c2ccco2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.39
CHKA P35790 3/20 0.39
TNIK Q9UKE5 1/20 0.38
SMO Q99835 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.36
MET P08581 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CXCR3 P49682 1/20 0.34

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
SCHEMBL2001835 0.93 SMO (0.38) USP7SMODRD2DRD4DRD3
SCHEMBL5744201 0.91 CHKA (0.41) USP7CHKATNIKSMODRD2
SCHEMBL2001547 0.90 SMO (0.40) USP7CHKATNIKSMODRD2
SCHEMBL2761009 0.88 SMO (0.43) USP7CHKATNIKSMODRD2
SCHEMBL5226032 0.86 SMO (0.39) CHKATNIKSMODRD2DRD4
SCHEMBL2001019 0.85 CXCR3 (0.36) USP7CXCR3
SCHEMBL12569255 0.84 SMO (0.39) USP7SMODRD2DRD4DRD3
SCHEMBL1995720 0.84 SMO (0.38) USP7TNIKSMODRD2DRD4
SCHEMBL2006337 0.83 SMO (0.40) USP7SMODRD2DRD4DRD3
SCHEMBL5228457 0.83 PIK3R1 (0.39) CHKASMODRD2DRD4DRD3

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 USP7 4356/4885CHKA 3751/4885TNIK 3961/4885

“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.