SCHEMBL3284181

SCHEMBL3284181

Cc1cc2ncc(C(N)=O)c(C)n2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.74
LMNA P02545 2/20 0.51
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 2/20 0.47
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRMT5 O14744 1/20 0.42

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
SCHEMBL758308 0.85 CYP1A2 (0.77) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL5660816 0.85 CYP1A2 (1.00) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL759906 0.76 CYP1A2 (0.59) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL5068803 0.74 CYP1A2 (0.60) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL20556228 0.74 CYP1A2 (0.42) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL12203769 0.73 CYP1A2 (0.59) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL28614649 0.73 CYP1A2 (0.59) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL237417 0.73 CYP1A2 (0.55) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL13255470 0.73 CYP1A2 (0.55) CYP1A2LMNANPC1RAB9AALDH1A1
SCHEMBL237019 0.73 CYP1A2 (0.55) CYP1A2LMNANPC1RAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (4 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 CYP1A2 253/4885LMNA 4760/4885NPC1 972/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885LMNA 1672/4885NPC1 122/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885LMNA 1672/4885NPC1 122/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885LMNA 1504/4885NPC1 86/4885

“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.