SCHEMBL4984437

SCHEMBL4984437

COC(=O)c1nc(-c2ccccn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
GABRA5 P31644 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
KDM4A O75164 1/20 0.36
ABCB1 P08183 1/20 0.36
NTRK1 P04629 1/20 0.36
SRC P12931 1/20 0.36
SYK P43405 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL4987284 0.90 SMN1; SMN2 (0.45) HPGDSABCG2GABRA5L3MBTL1MEN1
SCHEMBL4984484 0.88 PTGS2 (0.48) HPGDSABCG2GABRA5L3MBTL1MEN1
SCHEMBL4984463 0.87 NPC1 (0.38) ABCG2L3MBTL1MEN1KMT2ANPC1
SCHEMBL4990652 0.87 HPGDS (0.40) HPGDSABCG2L3MBTL1MEN1KMT2A
SCHEMBL4993626 0.85 L3MBTL1 (0.37) HPGDSABCG2GABRA5L3MBTL1MEN1
SCHEMBL5783615 0.85 L3MBTL1 (0.55) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4990363 0.85 ALDH1A1 (0.39) HPGDSABCG2GABRA5L3MBTL1MEN1
SCHEMBL4991127 0.85 FYN (0.36) ABCG2L3MBTL1MEN1KMT2ANPC1
SCHEMBL4987308 0.83 PTGS2 (0.48) GABRA5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5785036 0.83 PIK3CD (0.42) IRAK4ALDH1A1SYK

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R HPGDS 52/4885ABCG2 2641/4885GABRA5 773/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HPGDS 18/4885ABCG2 2572/4885GABRA5 1691/4885

“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.