SCHEMBL21546798

SCHEMBL21546798

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
RORC P51449 3/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
SGK1 O00141 1/20 0.35
KIF11 P52732 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL21032238 0.95 PTPN5 (0.38) PTPN5ADORA2AADORA1ADORA2BSGK1
SCHEMBL21546801 0.94 PTPN5 (0.37) PTPN5RORCADORA2AADORA1ADORA2B
SCHEMBL21414112 0.92 RORC (0.36) RORCKIF11ALDH1A1HSD17B10PTGER4
SCHEMBL21546778 0.90 PTPN5 (0.42) PTPN5RORCADORA2AADORA1ADORA2B
SCHEMBL22760739 0.90 PTPN5 (0.38) PTPN5ADORA2AADORA1ADORA2BSGK1
SCHEMBL21547091 0.89 PTPN5 (0.41) PTPN5RORCSGK1KIF11CYP1A2
SCHEMBL13232629 0.89 PTPN5 (0.39) PTPN5RORCADORA2ASGK1KIF11
SCHEMBL21546763 0.88 ADORA2A (0.39) PTPN5ADORA2AADORA1ADORA2BCYP1A2
SCHEMBL22760703 0.88 MAP4K4 (0.40) PTPN5ADORA2AADORA1ADORA2BCYP1A2
SCHEMBL21546457 0.88 ADORA2A (0.42) PTPN5ADORA2AADORA1ADORA2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PTPN5 4550/4885RORC 2316/4885ADORA2A 3953/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885RORC 2316/4885ADORA2A 3953/4885

“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.