SCHEMBL18304941

SCHEMBL18304941

O=C1NCCc2c(F)cc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.53
▸ PARP1 P09874 7/20 0.53
▸ PARP11 Q9NR21 9/20 0.49
▸ CDK2 P24941 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ CDC7 O00311 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ PDPK1 O15530 1/20 0.38

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
SCHEMBL30362890 1.00 PARP10 (0.53) PARP10PARP1PARP11CDK2ACHE
SCHEMBL17141660 0.81 CLK4 (0.46) PARP10PARP1PARP11GRM5
SCHEMBL28032373 0.81 PARP10 (0.51) PARP10PARP1PARP11CDK2ACHE
SCHEMBL23951998 0.77 PARP10 (0.56) PARP10PARP1PARP11CDK2ACHE
SCHEMBL1725137 0.77 PARP10 (0.51) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL30197872 0.77 PARP10 (0.56) PARP10PARP1PARP11CDK2ACHE
SCHEMBL32669451 0.77 PARP10 (0.44) PARP10PARP1PARP11CDK2ACHE
SCHEMBL4816505 0.76 SRD5A1 (0.36) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL29776117 0.76 SRD5A1 (0.36) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL21333626 0.73 FABP6 (0.48) PARP10PARP1PARP11RAF1MAPK1

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-110294742-B Fused ring ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 — — CN disclosed
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 — — CN disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 — — US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 — — US disclosed
EP-3303318-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 — — EP disclosed
WO-2016198400-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2016-12-15 — — 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A PARP10 1687/4885PARP1 1553/4885PARP11 2519/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA PARP10 3857/4885PARP1 2142/4885PARP11 3308/4885

“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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