SCHEMBL21076113

SCHEMBL21076113

CC(C)n1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALK Q9UM73 1/20 0.36
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
PGR P06401 3/20 0.35
AR P10275 2/20 0.35
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
DHFR P00374 1/20 0.35
SLC2A1 P11166 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
RORC P51449 1/20 0.34
CASP3 P42574 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL4726966 0.92 MEN1 (0.52) MEN1KMT2ANPY5RRORC
SCHEMBL21076077 0.85 ALK (0.41) MEN1KMT2AALKALDH1A1CYP2A6
SCHEMBL21085294 0.82 HRH3 (0.40) MEN1KMT2AALKSLC6A4CYP2A6
SCHEMBL21304006 0.81 MEN1 (0.46) MEN1KMT2AALKNPY5RRORC
SCHEMBL6363289 0.78 EGFR (0.46) MEN1KMT2ASLC6A4ALDH1A1CYP2A6
SCHEMBL29858321 0.78 EGFR (0.46) MEN1KMT2ASLC6A4ALDH1A1CYP2A6
SCHEMBL24295843 0.77 ALDH1A1 (0.40) SLC6A4ALDH1A1CYP2A6ARKDM4E
SCHEMBL30672067 0.77 ALDH1A1 (0.40) SLC6A4ALDH1A1CYP2A6ARKDM4E
SCHEMBL22939250 0.75 DHFR (0.38) ALDH1A1CYP2A6PGRARKDM4E
SCHEMBL17461241 0.74 ALDH1A1 (0.38) SLC6A4ALDH1A1CYP2A6ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 US disclosed
US-20190296246-A1 ORGANIC EL MATERIAL AND ORGANIC EL ELEMENT EMPLOYING SAME KANEKA CORPORATION (JP) 2019-09-26 US disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 US disclosed
US-20190173019-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 (5 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MEN1 2756/4885KMT2A 4204/4885ALK 2008/4885
US-20190296246-A1 ORGANIC EL MATERIAL AND ORGANIC EL ELEMENT EMPLOYING SAME ELP1, ELF3, ELOB MEN1 946/4885KMT2A 1157/4885ALK 1408/4885
US-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 MEN1 3483/4885KMT2A 4300/4885ALK 2578/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 MEN1 3483/4885KMT2A 4300/4885ALK 2578/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MEN1 2756/4885KMT2A 4204/4885ALK 2008/4885

“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.