SCHEMBL21396648

SCHEMBL21396648

N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.33
TGFBR1 P36897 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MCL1 Q07820 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.32
PTGER4 P35408 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL21396953 0.88 IMPDH2 (0.34) IMPDH2TGFBR1NPSR1MCL1POLB
SCHEMBL21396763 0.84 CYP11B1 (0.34) IMPDH2TGFBR1NPSR1MCL1CYP1A2
SCHEMBL29412276 0.82 IMPDH2 (0.43) IMPDH2NPSR1MCL1CYP1A2CYP2C9
SCHEMBL19062514 0.82 IMPDH2 (0.43) IMPDH2NPSR1MCL1CYP1A2CYP2C9
SCHEMBL21396766 0.82 EGFR (0.35) CYP1A2CYP2C9CYP2C19POLBATM
SCHEMBL21396991 0.81 NPSR1 (0.33) IMPDH2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL21396765 0.81 ALDH1A1 (0.36) IMPDH2TGFBR1HTTPTGER4ATM
SCHEMBL19062513 0.79 IMPDH2 (0.43) IMPDH2HTTATML3MBTL1MEN1
SCHEMBL21396646 0.79 PLAUR (0.36) IMPDH2TGFBR1NPSR1CYP1A2CYP2C9
SCHEMBL29454043 0.78 IMPDH2 (0.48) IMPDH2HTTATML3MBTL1MEN1

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 IMPDH2 2606/4885TGFBR1 3412/4885NPSR1 2986/4885

“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.