SCHEMBL2289284

SCHEMBL2289284

c1nnnn1-c1nc(-n2cnnn2)nc(-n2cnnn2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.52
F2 P00734 1/20 0.52
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KCNJ1 P48048 5/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12379760 0.89 NOTUM (0.53) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL2293966 0.84 NOTUM (0.48) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL12379764 0.79 ALDH1A1 (0.42) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL6244401 0.77 NOTUM (0.50) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL29211840 0.75 NOTUM (0.43) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL12615985 0.72 NOTUM (0.78) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL20969938 0.71 NOTUM (0.38) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL29710932 0.71 NOTUM (0.39) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL20969940 0.71 NOTUM (0.41) NOTUMF2MAPTALDH1A1KCNJ1
SCHEMBL12075564 0.70 NOTUM (0.54) NOTUMF2MAPTALDH1A1KCNJ1

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-8002915-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2011-08-23 US disclosed
US-8002915-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2011-08-23 US disclosed
US-8002915-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2011-08-23 US disclosed
US-20090008002-A1 Gas generant compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2009-01-08 US disclosed
US-20090008002-A1 Gas generant compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2009-01-08 US disclosed
US-20090008002-A1 Gas generant compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2009-01-08 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 (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-20090008002-A1 Gas generant compositions CBR3, CBR1, NOX5 NOTUM 2783/4885F2 1312/4885MAPT 2545/4885

“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.