SCHEMBL21379201

SCHEMBL21379201

COC1CCC(OC(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
EPHX2 P34913 1/20 0.35
PARP1 P09874 1/20 0.35
ALOX15 P16050 1/20 0.33
KCNA3 P22001 1/20 0.33
MAPK8 P45983 4/20 0.32
MAPK9 P45984 1/20 0.32
SERPINE1 P05121 1/20 0.31
EPHX1 P07099 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GRM1 Q13255 1/20 0.30
METAP2 P50579 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
SCHEMBL23319964 1.00 ATM (0.45) ATMEPHX2PARP1ALOX15KCNA3
Formic Acid SCHEMBL28881328 0.92 ATM (0.40) ATMEPHX2PARP1KCNA3METAP2
SCHEMBL425737 0.87
SCHEMBL28439266 0.85
Water SCHEMBL8681204 0.85
Hydrochloric Acid SCHEMBL11162708 0.85
SCHEMBL18084116 0.81 ATM (0.45) ATMALOX15KCNA3SERPINE1EPHX1
SCHEMBL14609330 0.81 ATM (0.45) ATMALOX15KCNA3SERPINE1EPHX1
SCHEMBL28669754 0.81 ATM (0.45) ATMDPP4DPP7
Methyl Carbamate SCHEMBL30557725 0.80 ATM (0.41) ATMALOX15KCNA3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
CN-109641906-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2021-10-01 CN disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 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 (3 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-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 ATM 826/4885EPHX2 2336/4885PARP1 425/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 ATM 826/4885EPHX2 2336/4885PARP1 425/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 ATM 326/4885EPHX2 2679/4885PARP1 567/4885

“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.