SCHEMBL12379767

SCHEMBL12379767

COc1nc(-n2cnnn2)nc(-n2cnnn2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
NOTUM Q6P988 4/20 0.40
HTT P42858 2/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
KCNJ1 P48048 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL12379764 0.96 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRNOTUMHTT
SCHEMBL2289284 0.83 NOTUM (0.52) ALDH1A1KMT2ANOTUMHTTF2
SCHEMBL12379777 0.78 NOTUM (0.53) ALDH1A1KMT2ANOTUMHTTF2
SCHEMBL12379760 0.74 NOTUM (0.53) ALDH1A1KMT2ANOTUMHTTF2
SCHEMBL2048542 0.65 ALDH1A1 (0.62) ALDH1A1KMT2ATSHRNOTUMHTT
SCHEMBL6244401 0.64 NOTUM (0.50) ALDH1A1KMT2ANOTUMHTTF2
SCHEMBL28643711 0.64 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRNOTUMLMNA
SCHEMBL17725605 0.64 NOTUM (0.52) ALDH1A1KMT2ANOTUMHTTF2
SCHEMBL1570379 0.63 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRNOTUMHTT
SCHEMBL2721346 0.63 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRNOTUMLMNA

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 5 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-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
WO-2008060366-A2 GAS GENERANT COMPOSITIONS TK HOLDINGS, INC. (US) 2008-05-22 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-20090008002-A1 Gas generant compositions CBR3, CBR1, NOX5 ALDH1A1 1527/4885KMT2A 1933/4885TSHR 745/4885

“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.