SCHEMBL20655562

SCHEMBL20655562

Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(-c3nc(C)nc(C)n3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
HRH4 Q9H3N8 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP11B2 P19099 2/20 0.33
GRM2 Q14416 1/20 0.33
PGR P06401 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PTGER4 P35408 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
MAP4K4 O95819 1/20 0.32
GAA P10253 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL20655563 0.95 PTGER4 (0.37) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20114587 0.94 CHEK1 (0.40) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20648358 0.93 CYP11B2 (0.34) CHEK1HRH4KMT2ACYP11B2GRM2
SCHEMBL20150412 0.93 CASP3 (0.35) CHEK1HRH4KMT2ACYP11B2GRM2
SCHEMBL20648310 0.92 CHEK1 (0.32) CHEK1HRH4PGR
SCHEMBL20655221 0.91 PIK3CD (0.36) CHEK1HRH4PIK3CDPIK3CACYP11B2
SCHEMBL20655387 0.90 CYP1A2 (0.40) HRH4KMT2APGRMAPTMEN1
SCHEMBL20150391 0.90 CHEK1 (0.36) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20156218 0.89 PTGER4 (0.39) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20114574 0.89 GABRA1 (0.39) CHEK1KMT2APTGER4MEN1ATM

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-11005048-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-11 US disclosed
US-20190019960-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-17 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-20190019960-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, ORC3 CHEK1 3910/4885HRH4 2829/4885PIK3CD 4564/4885
US-11005048-B2 Organic molecules, in particular for use in optoelectronic devices OR10J3, OR51E2, ORC3 CHEK1 3910/4885HRH4 2829/4885PIK3CD 4564/4885

“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.