SCHEMBL21383377

SCHEMBL21383377

Cc1nc(C)c(C)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 2/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
APP P05067 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL21388971 0.87 HTR2A (0.38) RAB9AMAPTKDM4ENPSR1MEN1
SCHEMBL21389060 0.83 TDP1 (0.44) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21389059 0.81 MAPT (0.41) NPC1RAB9AMAPTKDM4ETSHR
SCHEMBL21388967 0.80 MAPT (0.47) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21388973 0.80 MAPT (0.47) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21388979 0.78 MAPT (0.46) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21388997 0.76 MAPT (0.47) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21388974 0.76 MAPT (0.47) RAB9AMAPTKDM4ETSHRNPSR1
SCHEMBL21389064 0.74 ESR1 (0.48) MEN1KMT2ADHODHMAPK1
SCHEMBL21388969 0.74 GAA (0.42) ALDH1A1MAPK14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11678574-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-06-13 US disclosed
US-11678574-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-06-13 US disclosed
US-11678574-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-06-13 US disclosed
CN-111247128-B Compound and organic light emitting diode comprising the same 株式会社LG化学 2023-05-23 CN disclosed
US-20200266356-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-08-20 US disclosed
CN-111247128-A Compound and organic light emitting diode comprising same 株式会社LG化学 2020-06-05 CN disclosed
WO-2019182400-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-09-26 WO 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-20200266356-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CYP1A1, ARL1, ALDH1A1 NPC1 1644/4885RAB9A 2219/4885MAPT 2258/4885
US-11678574-B2 Compound and organic light emitting diode comprising same CYP1A1, ARL1, ALDH1A1 NPC1 1644/4885RAB9A 2219/4885MAPT 2258/4885

“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.