SCHEMBL21707149

SCHEMBL21707149

c1ccc(N(c2ccc(-c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)cc2)c2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TSPO P30536 1/20 0.33
MDM2 Q00987 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
METAP2 P50579 1/20 0.31
ALOX12 P18054 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
SCHEMBL21706872 0.94 MDM2 (0.34) KDM4EATML3MBTL1HDAC6MDM2
SCHEMBL21706873 0.92 KDM4E (0.36) KDM4EATML3MBTL1HDAC6CYP3A4
SCHEMBL21706999 0.90 KDM4E (0.36) KDM4EATML3MBTL1TSPOCYP11B1
SCHEMBL21699372 0.90 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOCYP3A4
SCHEMBL21706814 0.89 TSPO (0.40) ICMTKDM4EATML3MBTL1TSPO
SCHEMBL21706874 0.88 KDM4E (0.36) KDM4EATML3MBTL1HDAC6CYP3A4
SCHEMBL20101438 0.88 KDM4E (0.42) ICMTKDM4EATML3MBTL1TSPO
SCHEMBL21706831 0.87 L3MBTL1 (0.41) ICMTKDM4EATML3MBTL1TSPO
SCHEMBL21699152 0.86 TSPO (0.40) ICMTKDM4EATML3MBTL1TSPO
SCHEMBL21699157 0.86 TSPO (0.40) ICMTKDM4EATML3MBTL1TSPO

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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-13 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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ICMT 971/4885KDM4E 3395/4885ATM 969/4885

“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.