SCHEMBL3512344

SCHEMBL3512344

O=c1oc(=O)n(Cc2ccc(C(F)(F)F)nc2)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
EGLN1 Q9GZT9 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
CNR1 P21554 1/20 0.36
DAO P14920 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15681922 0.86 KDM4E (0.53) EGLN1GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL3513813 0.85 PTGDR2 (0.55) TP53PTGDR2KDM4EMAPTEP300
SCHEMBL1523150 0.81 PTGDR2 (0.53) PTGDR2GRIN1GRIN2BKDM4EMAPT
SCHEMBL1522904 0.80 ABHD6 (0.47) PTGDR2GRIN1GRIN2BMAPTTHRB
SCHEMBL1522698 0.79 PTGDR2 (0.51) TP53PTGDR2KDM4EMAPTKAT2B
SCHEMBL1522225 0.78 PTGDR2 (0.55) TP53PTGDR2KDM4EMAPTKAT2B
SCHEMBL1522441 0.78 TP53 (0.45) TP53PTGDR2KDM4EMAPTALDH1A1
SCHEMBL1523366 0.78 PTGDR2 (0.51) TP53PTGDR2KDM4EMAPTALDH1A1
SCHEMBL1522968 0.78 PTGDR2 (0.45) TP53PTGDR2KDM4EMAPTALDH1A1
SCHEMBL1522645 0.77 PTGDR2 (0.44) TP53PTGDR2KDM4EMAPTALDH1A1

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-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 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 (1 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-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS HIF1AN, HIF1A, EGLN2 TP53 1209/4885PTGDR2 1858/4885EGLN1 5/4885

“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.