SCHEMBL20114587

SCHEMBL20114587

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(-c4ccc(C#N)cc4)ccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
HRH4 Q9H3N8 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KMT2A Q03164 2/20 0.34
PTGER4 P35408 1/20 0.34
CYP11B2 P19099 3/20 0.34
CASP3 P42574 1/20 0.34
GRM2 Q14416 1/20 0.34
PGR P06401 1/20 0.33
CYP11B1 P15538 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MARK3 P27448 1/20 0.32
GSK3A P49840 1/20 0.32
SETDB1 Q15047 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 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
SCHEMBL20150391 0.95 CHEK1 (0.36) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20156218 0.94 PTGER4 (0.39) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20114574 0.94 GABRA1 (0.39) CHEK1KMT2APTGER4MEN1ATM
SCHEMBL20655562 0.94 CHEK1 (0.39) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20150412 0.94 CASP3 (0.35) CHEK1HRH4KMT2APTGER4CYP11B2
SCHEMBL20114692 0.93 CHEK1 (0.34) CHEK1PTGER4CYP11B2CASP3PGR
SCHEMBL20114586 0.92 CLK4 (0.38) CHEK1HRH4KMT2APGRMEN1
SCHEMBL20150394 0.92 CHEK1 (0.34) CHEK1KMT2APTGER4CYP11B2CASP3
SCHEMBL20114573 0.91 CASP3 (0.38) CASP3SETDB1
SCHEMBL20150380 0.91 PTGER4 (0.37) CHEK1KMT2APTGER4PDE10AMEN1

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 CHEK1 2795/4885HRH4 1865/4885PIK3CD 4371/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885HRH4 1865/4885PIK3CD 4371/4885

“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.