SCHEMBL1741944

SCHEMBL1741944

CCCCCCC(C(C)O)n1nnc2c(N)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 6/20 0.66
PDE2A O00408 3/20 0.66
CYP3A4 P08684 2/20 0.66
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
ALOX15 P16050 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TSHR P16473 1/20 0.66
HIF1A Q16665 1/20 0.66
LMNA P02545 1/20 0.65
BLM P54132 1/20 0.65
KDR P35968 1/20 0.53

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
SCHEMBL18548741 0.84 ADA (0.50) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21755899 0.84 ADA (0.50) ADAPDE2ACYP3A4PDE4APDE4B
(+)-Ehna SCHEMBL14985129 0.80 ADA (1.00) ADAPDE2ACYP3A4PDE4APDE4B
(+)-Ehna SCHEMBL1740490 0.80 ADA (1.00) ADAPDE2ACYP3A4PDE4APDE4B
Ehna SCHEMBL1742893 0.80 ADA (1.00) ADAPDE2ACYP3A4PDE4APDE4B
(+)-Ehna SCHEMBL1742728 0.80 ADA (1.00) ADAPDE2ACYP3A4PDE4APDE4B
Ehna SCHEMBL29391683 0.79 PDE2A (1.00) ADAPDE2ACYP3A4PDE4APDE4B
(+)-Ehna SCHEMBL14975587 0.79 PDE2A (1.00) ADAPDE2ACYP3A4PDE4APDE4B
(+)-Ehna SCHEMBL29481903 0.79 PDE2A (1.00) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL1740514 0.78 ADA (0.98) ADAPDE2ACYP3A4PDE4APDE4B

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-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 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-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 ADA 4438/4885PDE2A 3669/4885CYP3A4 4330/4885

“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.