SCHEMBL4174290

SCHEMBL4174290

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.50
THRB P10828 1/20 0.44
PKM P14618 1/20 0.41
WDR5 P61964 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
GPR6 P46095 3/20 0.39
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL303819 0.87 CHRM3 (0.48) CHRM3LMNAALDH1A1IRAK4KDM4E
SCHEMBL1085490 0.86 ALDH1A1 (0.50) LMNAALDH1A1IRAK4KDM4EMAPT
SCHEMBL302468 0.85 JAK2 (0.48) CHRM3LMNAALDH1A1KDM4EMAPT
SCHEMBL4161715 0.85 CHRM3 (0.50) CHRM3THRBWDR5LMNAALDH1A1
SCHEMBL5141001 0.84 CHRM3 (0.50) CHRM3
SCHEMBL31427504 0.83 ATM (0.43) CHRM3LMNAALDH1A1IRAK4KDM4E
SCHEMBL3542247 0.83 ALDH1A1 (0.52) CHRM3THRBALDH1A1RXFP1TP53
SCHEMBL4793286 0.83 CHRM3 (0.48) CHRM3THRBLMNAALDH1A1IRAK4
SCHEMBL302582 0.83 CHRM3 (0.47) CHRM3LMNAALDH1A1IRAK4KDM4E
SCHEMBL167627 0.82 CHRM3 (0.47) CHRM3LMNAALDH1A1IRAK4KDM4E

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 370/4885THRB 4481/4885PKM 4383/4885

“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.