SCHEMBL4453756

SCHEMBL4453756

Cc1cc(F)ccc1-c1ccccc1NC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.40
CHRM3 P20309 3/20 0.39
NTRK1 P04629 1/20 0.39
BCL3 P20749 1/20 0.39
MAPK14 Q16539 1/20 0.39
JAK2 O60674 1/20 0.38
IRAK4 Q9NWZ3 2/20 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
SCHEMBL302442 0.91 CHRM3 (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL4455693 0.90 POLB (0.45) ATMMAPTHTTLMNAMEN1
SCHEMBL374329 0.88 TP53 (0.45) ATMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4115329 0.87 ATM (0.42) ATMMAPTLMNAKMT2ATP53
SCHEMBL20875262 0.85 NTRK1 (0.52) ATMALDH1A1MAPTHTTLMNA
SCHEMBL304006 0.85 ATM (0.47) ATMALDH1A1MAPTHTTMEN1
SCHEMBL4445834 0.84 LMNA (0.50) ATMALDH1A1MAPK1MAPTHTT
SCHEMBL303819 0.84 CHRM3 (0.48) ATMALDH1A1MAPTHTTLMNA
SCHEMBL5141750 0.84 CHRM3 (0.40) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL29445380 0.84 CHRM3 (0.47) ATMALDH1A1MAPTHTTLMNA

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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 ATM 4775/4885ALDH1A1 1177/4885MAPK1 4229/4885

“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.