SCHEMBL25818750

SCHEMBL25818750

CC(C)(C(=O)OCc1ccccc1)c1cc(C(C)(C)C(F)(F)F)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 3/20 0.38
PTPN1 P18031 4/20 0.37
PTPRC P08575 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FLT3 P36888 1/20 0.34
ATM Q13315 1/20 0.34
DGAT1 O75907 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL23021427 0.82 TDP1 (0.43) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL20021746 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL19500998 0.71 KMT2A (0.55) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL19105239 0.70 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL12128693 0.70 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL2241428 0.70 KMT2A (0.57) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL20934725 0.70 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL14783691 0.70 KMT2A (0.57) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL14855865 0.70 KMT2A (0.57) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL20844053 0.69 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1L3MBTL1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 KMT2A 2881/4885MEN1 1800/4885ALDH1A1 4327/4885

“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.