SCHEMBL13723979

SCHEMBL13723979

CC(=O)Nc1nc2c(C)cccc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
DYRK1A Q13627 3/20 0.73
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
LMNA P02545 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
USP2 O75604 1/20 0.64
MCL1 Q07820 1/20 0.64
ESR2 Q92731 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPK1 P28482 1/20 0.64
HPGD P15428 1/20 0.64
ADORA1 P30542 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 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
SCHEMBL21821838 0.89 MAPT (0.76) MAPTDYRK1AMEN1KMT2ALMNA
SCHEMBL10933165 0.85 ALDH1A1 (0.69) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1040815 0.84 DYRK1A (1.00) MAPTDYRK1AMEN1KMT2AADORA1
SCHEMBL1011884 0.83 DYRK1A (0.71) MAPTDYRK1AMEN1KMT2AADORA1
SCHEMBL16254915 0.83 DYRK1A (0.71) MAPTDYRK1AMEN1KMT2ALMNA
SCHEMBL30754208 0.83 DYRK1A (0.71) MAPTDYRK1AMEN1KMT2ALMNA
SCHEMBL7933623 0.82 LMNA (0.69) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL5713545 0.82 MAPT (0.67) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL31504582 0.82 MAPT (0.67) MAPTDYRK1AMEN1KMT2ALMNA
SCHEMBL27003572 0.82 MAPT (0.67) MAPTDYRK1AMEN1KMT2ALMNA

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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 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 (2 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 MAPT 2844/4885DYRK1A 4786/4885MEN1 1785/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 MAPT 3261/4885DYRK1A 481/4885MEN1 291/4885

“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.