SCHEMBL21378960

SCHEMBL21378960

NC(=O)OC1CCC(C(=O)NC2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
EPHX1 P07099 1/20 0.39
SMYD3 Q9H7B4 1/20 0.36
MAPK1 P28482 2/20 0.36
EPHX2 P34913 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PIK3CD O00329 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 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
SCHEMBL28908080 0.85 POLB (0.44) POLBMAPK1EPHX2MTNR1AMTNR1B
SCHEMBL5263260 0.81 EPHX1 (0.41) POLBEPHX1SMYD3EPHX2ATM
SCHEMBL28527217 0.81 ATM (0.36) POLBLMNAATM
SCHEMBL28527216 0.81 ATM (0.36) POLBLMNAATM
SCHEMBL5263263 0.81 EPHX1 (0.41) POLBEPHX1SMYD3EPHX2ATM
SCHEMBL103961 0.79
SCHEMBL3402937 0.78 POLB (0.57) POLBSMYD3MAPK1EPHX2L3MBTL1
SCHEMBL3399344 0.78 POLB (0.57) POLBSMYD3MAPK1EPHX2L3MBTL1
SCHEMBL23573302 0.78 EPHX1 (0.57) EPHX1EPHX2ALDH1A1
SCHEMBL16335866 0.78 ATM (0.38) POLBMTNR1AMTNR1BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 POLB 2836/4885EPHX1 1502/4885SMYD3 2816/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 POLB 2836/4885EPHX1 1502/4885SMYD3 2816/4885

“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.