SCHEMBL1740447

SCHEMBL1740447

CCCCCCC(CC)n1cnc2c(N)ncnc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.68
PDE2A O00408 3/20 0.68
CYP3A4 P08684 2/20 0.68
ALDH1A1 P00352 2/20 0.68
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
ALOX15 P16050 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TSHR P16473 1/20 0.68
HIF1A Q16665 1/20 0.68
LMNA P02545 1/20 0.67
BLM P54132 1/20 0.67
ADORA2A P29274 3/20 0.60
ADORA2B P29275 2/20 0.60
ADORA1 P30542 2/20 0.60

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
SCHEMBL1740512 1.00 ADA (0.68) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL1741666 0.99 ADA (0.66) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL21945758 0.95 ADA (0.71) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL19503049 0.95 ADA (0.71) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL22106688 0.95 ADA (0.71) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL24971291 0.95 ADA (0.71) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL20467837 0.95 ADA (0.71) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL21473256 0.93 ADA (0.69) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL21515881 0.92 ADA (0.68) ADAPDE2ACYP3A4ALDH1A1PDE4A
SCHEMBL5441541 0.90 ADA (0.69) ADAPDE2ACYP3A4ALDH1A1PDE4A

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.