SCHEMBL3512688

SCHEMBL3512688

C#CCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.52
CNR2 P34972 10/20 0.48
CNR1 P21554 6/20 0.48
EGLN3 Q9H6Z9 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
FTO Q9C0B1 1/20 0.43

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
SCHEMBL2087702 0.84 EGLN1 (0.71) EGLN1CNR2CNR1EGLN3KDM4E
SCHEMBL2087085 0.82 EGLN3 (0.63) EGLN1CNR2CNR1EGLN3
SCHEMBL3512025 0.81 EGLN1 (0.61) EGLN1CNR2CNR1EGLN3EGLN2
SCHEMBL2085891 0.81 CNR2 (0.50) EGLN1CNR2CNR1EGLN3KDM4E
SCHEMBL2086548 0.81 HTR3E (0.51) EGLN1CNR2CNR1KDM4EALDH1A1
SCHEMBL2088540 0.81 EGLN1 (0.53) EGLN1CNR2CNR1KDM4EALDH1A1
SCHEMBL2576889 0.81 EGLN1 (0.59) EGLN1KDM4EALDH1A1LMNA
SCHEMBL2085626 0.81 HIF1A (0.59) EGLN1CNR2CNR1HTR3EHTR3B
SCHEMBL3514198 0.81 EGLN1 (0.60) EGLN1CNR2CNR1EGLN3EGLN2
SCHEMBL3514578 0.81 EGLN1 (0.60) EGLN1CNR2CNR1EGLN3EGLN2

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 9 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 claimed
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP claimed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO claimed
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
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO 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 EGLN1 5/4885CNR2 2485/4885CNR1 1567/4885

“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.