SCHEMBL21396957

SCHEMBL21396957

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ncccc2-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
CNR2 P34972 1/20 0.33
GRM5 P41594 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.32
LRRK2 Q5S007 1/20 0.32
DRD2 P14416 3/20 0.32
HTR2A P28223 2/20 0.32

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
SCHEMBL21397012 0.88 CNR2 (0.36) CA1CA2RPS6KB1ROCK1CNR2
SCHEMBL21396961 0.85 GRM5 (0.35) TGFBR1CA1CA2GRM5KDM4E
SCHEMBL21396741 0.85 TGFBR1 (0.39) TGFBR1RPS6KB1ROCK1
SCHEMBL21396716 0.81 KDM4E (0.37) CNR2GRM5KDM4EMAPTKMT2A
SCHEMBL21397150 0.81 SMN1; SMN2 (0.36) TGFBR1CA1CA2RPS6KB1ROCK1
SCHEMBL21758540 0.80 AR (0.33) CNR2KDM4EMAPTKMT2AHIF1A
SCHEMBL21758548 0.80 HRH1 (0.41) CNR2GRM5KDM4EMAPTKMT2A
SCHEMBL21397053 0.80 HTT (0.39) CA1CA2
SCHEMBL21396958 0.80 HTT (0.39) CA1CA2CNR2HIF1ANPSR1
SCHEMBL19062208 0.78 CA1 (0.44) CA1CA2KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 TGFBR1 3412/4885CA1 4752/4885CA2 4496/4885

“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.