SCHEMBL23459028

SCHEMBL23459028

O=C(O)N1CC[C@@H](OC(F)F)[C@@H]1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.37
TACR3 P29371 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23459026 1.00 ATM (0.48) ATMKMT2AMEN1POLBCYP2C9
SCHEMBL23477827 0.87 PSEN1 (0.46) ATMCYP2C19
SCHEMBL29998459 0.87 PSEN1 (0.46) ATMCYP2C19
SCHEMBL23459370 0.82 ATM (0.45) ATMKMT2AMEN1CYP2C9CYP2C19
SCHEMBL23459270 0.82 ATM (0.45) ATMKMT2AMEN1CYP2C9CYP2C19
SCHEMBL6330028 0.80 SLC18A3 (0.42) ALDH1A1L3MBTL1
SCHEMBL23459442 0.79 TACR3 (0.39) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL23458993 0.79 RAB9A (0.46) KMT2AMEN1
SCHEMBL23458995 0.79 RAB9A (0.46) KMT2AMEN1
SCHEMBL5354744 0.77 TACR3 (0.44) ATMKMT2AMEN1POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 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 (2 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 ATM 1/4885KMT2A 1328/4885MEN1 1920/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 ATM 1/4885KMT2A 1328/4885MEN1 1920/4885

“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.