SCHEMBL15375895

SCHEMBL15375895

CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
MEN1 O00255 1/20 0.74
ADORA2B P29275 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.71
RXFP1 Q9HBX9 7/20 0.67
THRB P10828 1/20 0.67
CYP1A2 P05177 1/20 0.67
TP53 P04637 3/20 0.65
MAPK1 P28482 2/20 0.65
TRPA1 O75762 1/20 0.64
LMNA P02545 1/20 0.63
ALOX15 P16050 1/20 0.63
POLB P06746 1/20 0.61

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
SCHEMBL5462777 0.88 RXFP1 (0.78) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL10113885 0.86 KMT2A (0.71) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL10114162 0.85 KMT2A (0.70) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL17744968 0.85 RXFP1 (0.75) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
Acefylline SCHEMBL18191994 0.84 ADORA2B (1.00) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
Acefylline SCHEMBL308514 0.84 ADORA2B (1.00) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL11531219 0.84 ADORA2B (0.78) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL12260506 0.84 RXFP1 (0.69) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL10178027 0.83 SMN1; SMN2 (1.00) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1
SCHEMBL10114347 0.83 KMT2A (0.82) KMT2AMEN1ADORA2BSMN1; SMN2RXFP1

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-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KMT2A 2953/4885MEN1 1785/4885ADORA2B 1599/4885

“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.