SCHEMBL6770113

SCHEMBL6770113

Nc1nc(N)nc(N)n1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
LMNA P02545 2/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
CYP1A2 P05177 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL9579151 0.94 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL8356506 0.94 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL8465809 0.94 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL25853 0.94
Hydrochloric Acid SCHEMBL3338896 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
SCHEMBL2477170 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
Ammonia Solution, Strong SCHEMBL302019 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
SCHEMBL15648403 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
SCHEMBL22345514 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
SCHEMBL4596648 0.89 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651763-B Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2024-07-30 CN claimed
CN-113651763-A Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2021-11-16 CN claimed
CN-113651763-B Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2024-07-30 CN disclosed
CN-113651763-B Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2024-07-30 CN disclosed
CN-113651763-A Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2021-11-16 CN disclosed
CN-113651763-A Negative electrode additive, preparation method thereof, negative electrode plate and lithium ion battery 天能新能源(湖州)有限公司 2021-11-16 CN disclosed
US-6818726-B2 FOR INTERMEDIATES AND MOLDED MATERIALS WITH IMPROVED TOUGHNESS AND HIGH FLAME RESISTANCE AND STRENGTH AGROLINZ MELAMIN GMBH (AT) 2004-11-16 US disclosed
US-6818768-B2 20-70% BY WEIGHT TRIAZINE DERIVATIVES WITH HYDROXYALKYL AMINO GROUPS AND 30-80% OF TRIAZINE DERIVATIVES WITH BIS/HYDROXYLAKYL)IMINO GROUP AGROLINZ MELAMIN GMBH (AT) 2004-11-16 US disclosed
US-20030050474-A1 Mixtures of triazine derivatives free from polyalkylene oxide AGROLINZ MELAMIN GMBH (AT) 2003-03-13 US disclosed
US-20030045667-A1 Polymers made from triazine derivatives AGROLINZ MELAMIN GMBH (AT) 2003-03-06 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-20030050474-A1 Mixtures of triazine derivatives free from polyalkylene oxide TAAR5, TAAR1, ARNT CASP1 4320/4885LMNA 2464/4885ADORA2A 681/4885

“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.