SCHEMBL4984463

SCHEMBL4984463

COC(=O)c1nc(-c2cnccn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
SMO Q99835 1/20 0.36
MAPT P10636 2/20 0.35
P2RX7 Q99572 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
GSK3A P49840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4988267 0.90 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4984437 0.87 HPGDS (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4987004 0.87 KMT2A (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4991127 0.83 FYN (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5781861 0.81 L3MBTL1 (0.44) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL5783615 0.81 L3MBTL1 (0.55) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL4986965 0.80 OXTR (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5783901 0.79 P2RX7 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4987284 0.77 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2KDM4EABCG2
SCHEMBL4989936 0.77 KMT2A (0.45) KMT2ASMN1; SMN2SMOL3MBTL1JMJD6

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 2 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

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R NPC1 3524/4885RAB9A 2660/4885MEN1 2370/4885

“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.