SCHEMBL21388971

SCHEMBL21388971

Cc1nc(C)c(C)c(-c2ccc(-c3ccc(-c4nc(C)nc(C)c4C)cc3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DHODH Q02127 10/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XDH P47989 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 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
SCHEMBL21388967 0.92 MAPT (0.47) DHODHMAPTPOLBKDM4EMEN1
SCHEMBL21388973 0.92 MAPT (0.47) DHODHMAPTPOLBKDM4EMEN1
SCHEMBL21389060 0.91 TDP1 (0.44) HTR2AHTR2CHTR2BMAPTPOLB
SCHEMBL21388979 0.90 MAPT (0.46) DHODHMAPTPOLBKDM4EMEN1
SCHEMBL21383377 0.87 NPC1 (0.40) HTR2AHTR2CHTR2BDHODHMAPT
SCHEMBL21388974 0.87 MAPT (0.47) DHODHMAPTPOLBKDM4EMEN1
SCHEMBL21388997 0.87 MAPT (0.47) DHODHMAPTPOLBKDM4EMEN1
SCHEMBL21388969 0.85 GAA (0.42) ALDH1A1
SCHEMBL21389064 0.85 ESR1 (0.48) DHODHMEN1KMT2A
SCHEMBL21388981 0.84 ENPP3 (0.46) DHODHMAPTPOLBKDM4EMEN1

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 3 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
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 (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-11678574-B2 Compound and organic light emitting diode comprising same CYP1A1, ARL1, ALDH1A1 HTR2A 719/4885HTR2C 613/4885HTR2B 560/4885

“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.