SCHEMBL22246458

SCHEMBL22246458

Cc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2cc1-c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.69
▸ ADORA1 P30542 2/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.34
▸ AURKA O14965 1/20 0.32
▸ TPX2 Q9ULW0 1/20 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
SCHEMBL22246460 0.90 ADORA2A (0.55) ADORA2AADORA1TRPA1CNR1CNR2
SCHEMBL22250376 0.87 ADORA2A (0.52) ADORA2ATRPA1AURKATPX2
SCHEMBL22246413 0.83 ADORA2A (0.47) ADORA2ATRPA1CNR1CNR2TNIK
SCHEMBL22246451 0.83 ADORA2A (0.74) ADORA2AADORA1TNIK
SCHEMBL22246457 0.83 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL22246295 0.82 ADORA2A (0.66) ADORA2AADORA1CNR1CNR2TNIK
SCHEMBL22246316 0.82 ADORA2A (0.68) ADORA2AADORA1CNR1CNR2
SCHEMBL22230233 0.82 ADORA2A (1.00) ADORA2AADORA1CNR1CNR2
SCHEMBL22246482 0.82 ADORA2A (0.70) ADORA2AADORA1CNR1CNR2
SCHEMBL22246504 0.81 ADORA2A (0.69) ADORA2AADORA1CNR1CNR2

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
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-06-02 — — US disclosed
US-11254670-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2022-02-22 — — US disclosed
WO-2020150676-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
US-20200231589-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 — — 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-11254670-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 ADORA2A 2/4885ADORA1 9/4885TRPA1 2509/4885
US-20200231589-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ADORA2A 2/4885ADORA1 9/4885TRPA1 2509/4885
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ADORA2A 2/4885ADORA1 9/4885TRPA1 2509/4885

“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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