SCHEMBL21364027

SCHEMBL21364027

Cc1cccc(C)c1-c1ccnc(-c2c3ccccc3c(-c3cc(-c4c(C)cccc4C)ccn3)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
BRD4 O60885 1/20 0.41
MAPK10 P53779 1/20 0.39
TGFBR1 P36897 2/20 0.39
SRC P12931 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CYP2A6 P11509 3/20 0.35
CYP1A2 P05177 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR4A2 P43354 1/20 0.35
PSMD14 O00487 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
SCHEMBL21363956 0.93 GRM5 (0.40) GRM5BRD4MAPK10TGFBR1SRC
SCHEMBL21364095 0.87 BRD4 (0.42) GRM5BRD4TGFBR1CYP1A2CCR1
SCHEMBL21363952 0.85 TGFBR1 (0.50) GRM5BRD4MAPK10TGFBR1CYP1A2
SCHEMBL17173320 0.83 BRD4 (0.41) GRM5BRD4MAPK10TGFBR1SRC
SCHEMBL21363959 0.82 GABRA1 (0.35) GRM5BRD4MAPK10TGFBR1ASIC3
SCHEMBL21364026 0.81 TGFBR1 (0.53) BRD4MAPK10TGFBR1CYP1A2ALDH1A1
SCHEMBL21364094 0.81 TGFBR1 (0.40) GRM5BRD4TGFBR1CYP1A2CCR1
SCHEMBL12345148 0.78 ASIC3 (0.46) TGFBR1ASIC3CYP1A2
SCHEMBL17173358 0.78 BRD4 (0.38) GRM5BRD4MAPK10TGFBR1SRC
SCHEMBL18674426 0.76 DYRK1A (0.47) BRD4MAPK10TGFBR1SRCGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 GRM5 4602/4885BRD4 3820/4885MAPK10 1411/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 GRM5 4602/4885BRD4 3820/4885MAPK10 1411/4885

“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.