SCHEMBL21396705

SCHEMBL21396705

N#Cc1c(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C#N)c2-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 2/20 0.37
CYP11B2 P19099 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
DUSP3 P51452 1/20 0.36
ALDH1A1 P00352 5/20 0.35
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL19051994 0.87 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19755252 0.84 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22378640 0.82 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22377824 0.82 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19755260 0.82 SMN1; SMN2 (0.43) CYP1A2CYP2C19GAASMN1; SMN2HIF1A
SCHEMBL21397041 0.82 CYP11B2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22377480 0.81 SMN1; SMN2 (0.42) CYP1A2CYP2C19GAASMN1; SMN2HIF1A
SCHEMBL12679886 0.81 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8739872 0.80 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30968747 0.80 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 1557/4885CYP3A4 541/4885CYP2D6 1508/4885

“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.