SCHEMBL22925960

SCHEMBL22925960

N/C(=N\O)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.42
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 1/20 0.37
KIF11 P52732 1/20 0.35
KIT P10721 2/20 0.33
FLT3 P36888 2/20 0.33
MCHR1 Q99705 2/20 0.33
TGFBR1 P36897 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
EPHX2 P34913 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30

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
SCHEMBL28733790 1.00 CASP3 (0.42) CASP3MAPK1KMT2AHDAC4HDAC1
SCHEMBL22925731 0.88 S1PR1 (0.39) CASP3KMT2AHDAC4HDAC1TUBB4A
SCHEMBL28733722 0.88 S1PR1 (0.39) CASP3KMT2AHDAC4HDAC1TUBB4A
SCHEMBL22925938 0.87 TUBB4A (0.35) MAPK1KMT2AHDAC4HDAC1KCNH2
SCHEMBL28939251 0.87 TUBB4A (0.35) MAPK1KMT2AHDAC4HDAC1KCNH2
SCHEMBL22925609 0.86 CASP3 (0.41) CASP3MAPK1KMT2AHDAC4HDAC1
SCHEMBL28733736 0.86 CASP3 (0.41) CASP3MAPK1KMT2AHDAC4HDAC1
SCHEMBL22925723 0.85 CASP3 (0.41) CASP3HDAC4HDAC1TUBB4ATUBB
SCHEMBL29620858 0.85 CASP3 (0.41) CASP3HDAC4HDAC1TUBB4ATUBB
SCHEMBL28733724 0.85 CASP3 (0.41) CASP3HDAC4HDAC1TUBB4ATUBB

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-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB CASP3 1714/4885MAPK1 567/4885KMT2A 3735/4885

“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.