SCHEMBL22246487

SCHEMBL22246487

Cc1c(C#N)cccc1-c1nc2[nH]c(=O)ccc2cc1-c1cc(Cl)c2c(c1)C(=O)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.47
▸ CES1 P23141 3/20 0.35
▸ DAO P14920 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ DNMT1 P26358 1/20 0.33
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ CNR1 P21554 6/20 0.31
▸ CNR2 P34972 6/20 0.31
▸ NISCH Q9Y2I1 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
SCHEMBL22251307 0.87 ADORA2A (0.41) ADORA2ACES1DAONSD2BCHE
SCHEMBL22246497 0.84 ADORA2A (0.46) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246504 0.83 ADORA2A (0.69) ADORA2ACES1DAONSD2BCHE
SCHEMBL22246459 0.81 ADORA2A (0.46) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246481 0.81 ADORA2A (0.49) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246413 0.81 ADORA2A (0.47) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246412 0.81 ADORA2A (0.53) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246317 0.80 ADORA2A (0.47) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246475 0.79 ADORA2A (0.48) ADORA2APDE3BPDE3ACNR1CNR2
SCHEMBL22246474 0.79 ADORA2A (0.46) ADORA2APDE3BPDE3ACNR1CNR2

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
US-20200231589-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 — — US disclosed
WO-2020150676-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 — — 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 (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 2/4885CES1 3416/4885DAO 1914/4885
US-20200231589-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ADORA2A 2/4885CES1 3416/4885DAO 1914/4885
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ADORA2A 2/4885CES1 3416/4885DAO 1914/4885

“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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