SCHEMBL21077296

SCHEMBL21077296

CCc1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
USP14 P54578 5/20 0.44
MGLL Q99685 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
SLC6A4 P31645 2/20 0.36
ELANE P08246 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 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
SCHEMBL13178995 0.87 USP14 (0.43) CYP2A6USP14MGLLLOXL2CYP19A1
SCHEMBL30434963 0.81 PGR (0.42) CYP2A6MGLLTHRBMEN1KMT2A
SCHEMBL29009241 0.81 PGR (0.42) CYP2A6MGLLTHRBMEN1KMT2A
SCHEMBL14507050 0.81 KDM4E (0.43) USP14KDM4E
SCHEMBL13908804 0.80 RORC (0.45) USP14SLC6A4ELANEMEN1KMT2A
SCHEMBL805989 0.79 USP14 (0.39) USP14SLC6A4ALDH1A1KDM4EGAA
SCHEMBL21343465 0.79 PLA2G4A (0.43) USP14MEN1KMT2AALDH1A1KDM4E
SCHEMBL22624275 0.79 KDM4E (0.52) USP14ALDH1A1KDM4EGAA
SCHEMBL27930755 0.79 TDP2 (0.45) USP14
SCHEMBL17527729 0.79 TSHR (0.55) CYP2A6USP14MGLLHSD17B10CYP19A1

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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA CYP2A6 485/4885USP14 4492/4885MGLL 1796/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA CYP2A6 485/4885USP14 4492/4885MGLL 1796/4885

“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.