SCHEMBL3515918

SCHEMBL3515918

C[C@H](NC(=O)c1c(O)c2cccnc2n(Cc2nc3ccccc3s2)c1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
CNR1 P21554 3/20 0.47
EGLN2 Q96KS0 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
AKR1B1 P15121 4/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL27772254 1.00 CNR2 (0.47) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3515031 0.90 AKR1B1 (0.44) CNR2CNR1EGLN1ALDH1A1KDM4E
SCHEMBL27793216 0.90 AKR1B1 (0.44) CNR2CNR1EGLN1ALDH1A1KDM4E
SCHEMBL3515172 0.88 EGLN2 (0.46) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3512508 0.85 EGLN1 (0.61) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3515661 0.81 KDM4E (0.48) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3512393 0.77 CNR2 (0.58) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3513909 0.77 CNR2 (0.58) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL3514775 0.76 EGLN1 (0.56) CNR2CNR1EGLN2EGLN1EGLN3
SCHEMBL27793219 0.76 EGLN1 (0.56) CNR2CNR1EGLN2EGLN1EGLN3

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 7 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
CN-101663037-A Novel 1,8-naphthyridine compounds MERCK & CO INC 2010-03-03 CN 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
CN-101663037-A Novel 1,8-naphthyridine compounds MERCK & CO INC 2010-03-03 CN 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 CNR2 2485/4885CNR1 1567/4885EGLN2 3/4885

“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.