SCHEMBL4159066

SCHEMBL4159066

Cn1cc(C(=O)Nc2ccccc2-c2cccc(F)c2)c(CF)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.48
ATM Q13315 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
QPCT Q16769 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
NTRK1 P04629 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4451470 0.91 ATM (0.47) CHRM3ATMHTTMAPTLMNA
SCHEMBL1085475 0.89 ALDH1A1 (0.51) ATMHTTMAPTLMNAALDH1A1
SCHEMBL21069208 0.88 ATM (0.40) CHRM3ATMJAK2JAK1TYK2
SCHEMBL4171956 0.88 JAK2 (0.48) CHRM3ATMJAK2JAK1HTT
SCHEMBL4920171 0.87 CHRM3 (0.48) CHRM3ATMHTTMAPTLMNA
SCHEMBL4451146 0.87 CHRM3 (0.51) CHRM3ATMJAK2JAK1NTRK1
SCHEMBL1085544 0.86 CHRM3 (0.47) CHRM3ATMHTTMAPTLMNA
SCHEMBL29445377 0.86 CHRM3 (0.47) CHRM3ATMHTTMAPTLMNA
SCHEMBL4451528 0.85 CHRM3 (0.48) CHRM3ATMMAPTALDH1A1TP53
SCHEMBL303819 0.85 CHRM3 (0.48) CHRM3ATMJAK2JAK1TYK2

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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 US claimed
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides CBR3, CBR1, CYCS CHRM3 370/4885ATM 4504/4885JAK2 3619/4885

“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.