SCHEMBL3281807

SCHEMBL3281807

Cc1cc2nnc(C(N)=O)c(C)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.42
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NTRK1 P04629 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE5A O76074 2/20 0.37

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
SCHEMBL2680148 0.85 CYP1A2 (0.47) CYP1A2MAPTHSD17B10LMNANTRK1
SCHEMBL14864590 0.85 CYP1A2 (0.55) CYP1A2MAPTHSD17B10LMNANTRK1
SCHEMBL8339919 0.80 MAPT (0.39) CYP1A2MAPTHSD17B10LMNANTRK1
SCHEMBL23657602 0.79 HSD17B10 (0.69) MAPTHSD17B10LMNAKDM4EALDH1A1
SCHEMBL13754004 0.77 MAPT (0.44) CYP1A2MAPTHSD17B10NTRK1PDE4A
SCHEMBL12797755 0.72 CYP1A2 (0.43) CYP1A2MAPTKDM4EHTTMEN1
SCHEMBL3284181 0.72 CYP1A2 (0.74) CYP1A2HSD17B10LMNAKDM4EPKM
SCHEMBL16716677 0.69 CYP1A2 (0.41) CYP1A2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2362492 0.69 CYP1A2 (0.41) CYP1A2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2362490 0.69 CYP1A2 (0.41) CYP1A2MAPTHSD17B10KDM4EALDH1A1

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 253/4885MAPT 4845/4885HSD17B10 381/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885MAPT 3557/4885HSD17B10 272/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885MAPT 3557/4885HSD17B10 272/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885MAPT 3349/4885HSD17B10 387/4885

“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.