SCHEMBL371044

SCHEMBL371044

COC(=O)c1nc2c(N3CCN(C(C)C)C3=O)cc(N3CCN(C)CC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTR6 P50406 4/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FLT3 P36888 2/20 0.35
KIT P10721 1/20 0.35
LRRK2 Q5S007 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NEK2 P51955 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM1A O60341 2/20 0.34

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
SCHEMBL368771 0.88 LMNA (0.35) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL15097422 0.88 MAPK1 (0.41) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL10070416 0.88 TSHR (0.34) HSD17B10ALDH1A1TSHRMAPTTAAR1
SCHEMBL369582 0.87 LMNA (0.38) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL369035 0.87 SCD (0.38) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL369160 0.86 MAPK1 (0.41) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL367531 0.85 MAPK1 (0.40) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL371019 0.85 MAPK1 (0.40) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL15097285 0.84 MAPK1 (0.37) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL368547 0.84 MAPK1 (0.39) MAPK1KMT2AMEN1HSD17B10ALDH1A1

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MAPK1 1479/4885KMT2A 3777/4885MEN1 4041/4885

“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.