SCHEMBL20337045

SCHEMBL20337045

[N-]=[N+]=NC1CCC(OC(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ DPP7 Q9UHL4 4/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32

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
SCHEMBL20337044 1.00 ATM (0.34) ATMMMP2ANPEPDPP7DPP8
SCHEMBL17374461 0.83 MMP2 (0.36) ATMMMP2ANPEPDPP7DPP8
SCHEMBL19032334 0.83 MMP2 (0.36) ATMMMP2ANPEPDPP7DPP8
SCHEMBL17374459 0.83 MMP2 (0.36) ATMMMP2ANPEPDPP7DPP8
SCHEMBL27948408 0.77 NAAA (0.36) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL425737 0.77 — —
SCHEMBL28439266 0.75 — —
Water SCHEMBL8681204 0.75 — —
Hydrochloric Acid SCHEMBL11162708 0.75 — —
SCHEMBL28566126 0.74 ATM (0.32) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533924-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2023-11-28 — — CN disclosed
CN-112533924-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-19 — — CN disclosed
CN-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 — — CN disclosed
EP-3313840-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-24 — — EP disclosed
US-10294229-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-21 — — US disclosed
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — 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-10294229-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 ATM 1731/4885MMP2 3588/4885ANPEP 4546/4885
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 ATM 1731/4885MMP2 3588/4885ANPEP 4546/4885

“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.

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