SCHEMBL18944283

SCHEMBL18944283

Cn1nc(C(C)(C)C)nc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 3/20 0.45
BLM P54132 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
APAF1 O14727 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45
EGFR P00533 1/20 0.45
THRB P10828 1/20 0.45
PPARG P37231 1/20 0.45
CASP3 P42574 1/20 0.45
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
GALK1 P51570 1/20 0.45

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
SCHEMBL14822767 0.85 PTGS2 (0.46) KDM4ENPC1LMNAPOLBBLM
SCHEMBL27129683 0.81 KDM4E (0.48) KDM4ENPC1LMNAPOLBBLM
SCHEMBL12776157 0.78 NPC1 (0.46) KDM4ENPC1LMNAPOLBBLM
SCHEMBL10983833 0.78 KDM4E (0.53) KDM4ENPC1LMNAPOLBBLM
SCHEMBL18027876 0.77 CYP1A2 (0.37) KDM4ENPC1LMNAPOLBBLM
SCHEMBL11591603 0.75 NPC1 (0.67) KDM4ENPC1LMNAPOLBBLM
SCHEMBL12340918 0.75 NR1H2 (0.61) NPC1MAPK1HTTMAPTRAB9A
SCHEMBL23130743 0.73 KDM4E (0.47) KDM4ENPC1LMNAPOLBBLM
SCHEMBL11590779 0.73 NPC1 (0.54) KDM4ENPC1LMNAPOLBBLM
SCHEMBL19037575 0.72 KDM4E (0.69) KDM4ENPC1LMNAPOLBBLM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-08 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-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME METTL3, MEN1, L1CAM KDM4E 2004/4885NPC1 1540/4885LMNA 1664/4885

“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.