SCHEMBL21928596

SCHEMBL21928596

Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4-c4ccc(C#N)cc4)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
PTGER4 P35408 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.36
KCNH2 Q12809 1/20 0.36
AR P10275 4/20 0.35
SCN2A Q99250 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK14 Q16539 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
FLT3 P36888 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL21928449 0.94 CHEK1 (0.43) CHEK1SCN10AKCNH2ARSCN2A
SCHEMBL21928448 0.94 PTGER4 (0.40) CHEK1PTGER4SCN10AKCNH2AR
SCHEMBL21929271 0.93 CYP11B2 (0.43) CHEK1PTGER4ARMEN1KMT2A
SCHEMBL21928419 0.92 CHEK1 (0.43) CHEK1PTGER4SCN10AKCNH2AR
SCHEMBL21928436 0.91 CHEK1 (0.41) CHEK1PTGER4ARMEN1KMT2A
SCHEMBL21931693 0.91 ALDH1A3 (0.36) CHEK1MEN1KMT2AGRIN1GRIN2B
SCHEMBL21928625 0.90 CHEK1 (0.39) CHEK1PTGER4SCN10AKCNH2AR
SCHEMBL21931772 0.90 CHEK1 (0.37) CHEK1PTGER4ARMEN1KMT2A
SCHEMBL21931746 0.90 PTGER4 (0.39) CHEK1PTGER4ARMEN1KMT2A
SCHEMBL21931769 0.89 GABRA1 (0.40) CHEK1PTGER4MEN1KMT2AATM

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 CHEK1 3808/4885PTGER4 1018/4885SCN10A 3912/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA CHEK1 1237/4885PTGER4 1294/4885SCN10A 4252/4885

“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.