SCHEMBL22822673

SCHEMBL22822673

N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C#N)cc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.35
IMPDH2 P12268 1/20 0.32
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
PTGER4 P35408 1/20 0.30
MAT2A P31153 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL21546939 0.93 ALDH1A3 (0.37) PGRMEN1KMT2AALDH1A3
SCHEMBL21414147 0.93 PGR (0.35) PGRIMPDH2XDHSLC22A12CYP11B1
SCHEMBL19909088 0.92 IRAK4 (0.32) PGRPTGER4
SCHEMBL20617117 0.92 RXRA (0.39) PGRXDHCYP11B1CYP11B2
SCHEMBL19909519 0.91 FLT3 (0.34) PGRIMPDH2XDHCYP11B1CYP11B2
SCHEMBL19903696 0.91 RXRA (0.38) PGRXDHCYP11B1CYP11B2
SCHEMBL22822682 0.89 RXRA (0.39) PGRXDHCYP11B1CYP11B2
SCHEMBL22760961 0.89 ALDH1A3 (0.39) PGRXDHSLC22A12MEN1KMT2A
SCHEMBL20619743 0.88 CYP11B2 (0.42) XDHCYP11B1CYP11B2
SCHEMBL21414140 0.88 MEN1 (0.34) PGRIMPDH2MEN1KMT2AATM

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-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 PGR 3109/4885IMPDH2 833/4885XDH 430/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PGR 3279/4885IMPDH2 3870/4885XDH 125/4885

“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.