SCHEMBL17694643

SCHEMBL17694643

CC(C)c1nc(-c2ccccc2)nc(C(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
XBP1 P17861 2/20 0.50
PAX8 Q06710 2/20 0.50
ADORA2A P29274 4/20 0.48
ADORA1 P30542 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
POLB P06746 1/20 0.48
ADORA2B P29275 1/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.46
ACP1 P24666 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1102441 0.98 L3MBTL1 (0.58) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL25883662 0.94 L3MBTL1 (0.54) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL20152494 0.94 L3MBTL1 (0.54) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL17563608 0.94 L3MBTL1 (0.54) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL12455074 0.90 L3MBTL1 (0.67) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL28693625 0.88 HTT (0.46) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL17563612 0.88 NOTUM (0.50) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL24622601 0.87 L3MBTL1 (0.47) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL20932543 0.87 ADORA2A (0.47) L3MBTL1HTTNPC1RAB9AXBP1
SCHEMBL21661896 0.87 L3MBTL1 (0.47) L3MBTL1HTTNPC1RAB9AXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010673-B Method for synthesizing 1,3, 5-triazine compounds under visible light-induced metal-free catalysis condition 河南大学 2024-01-30 CN disclosed
CN-115010673-A Method for synthesizing 1,3,5-triazine compound under visible light induction and metal-free catalysis condition 河南大学 2022-09-06 CN disclosed
US-20210151683-A1 LIGHT-EMITTING ELEMENT, AND DISPLAY, ILLUMINATOR, AND SENSOR EACH INCLUDING SAME TORAY INDUSTRIES, INC. (JP) 2021-05-20 US disclosed
US-9711735-B2 Delayed fluorescence compound, and organic light emitting diode and display device using the same LG DISPLAY CO., LTD. (KR) 2017-07-18 US disclosed
US-20160111659-A1 DELAYED FLUORESCENCE COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2016-04-21 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-20160111659-A1 DELAYED FLUORESCENCE COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME DRD1, CCND1, CCND2 L3MBTL1 60/4885HTT 2793/4885NPC1 729/4885
US-20210151683-A1 LIGHT-EMITTING ELEMENT, AND DISPLAY, ILLUMINATOR, AND SENSOR EACH INCLUDING SAME CBR3, INTS9, CBR1 L3MBTL1 208/4885HTT 4642/4885NPC1 2770/4885

“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.