SCHEMBL1994787

SCHEMBL1994787

CN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2F)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MC4R P32245 1/20 0.33
FLT3 P36888 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 2/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL1998682 0.92 MAPT (0.35) MAPTLMNAHTTNPSR1FLT3
SCHEMBL1998216 0.91 LMNA (0.42) MAPTLMNANPSR1FLT3NPC1
SCHEMBL2004264 0.90 HTR1A (0.41) MAPTLMNAFLT3TP53NPC1
SCHEMBL2761010 0.89 MAPT (0.41) MAPTLMNAHTTNPSR1TP53
SCHEMBL1995722 0.87 MAPT (0.35) MAPTLMNAHTTNPSR1FLT3
SCHEMBL2761194 0.85 MAPT (0.34) MAPTLMNAHTTNPSR1FLT3
SCHEMBL5745204 0.85 LMNA (0.36) MAPTLMNAHTTNPSR1FLT3
SCHEMBL1998839 0.84 GSK3B (0.34) LMNAFLT3ALDH1A1GAAHTR1A
SCHEMBL1998528 0.83 LMNA (0.42) MAPTLMNANPSR1NPC1HRH3
SCHEMBL2001550 0.82 MAPT (0.37) MAPTLMNAHTTNPSR1FLT3

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 MAPT 2121/4885LMNA 3297/4885HTT 961/4885

“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.