SCHEMBL20114643

SCHEMBL20114643

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
CHEK1 O14757 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ELANE P08246 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
FLT3 P36888 3/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MARK3 P27448 1/20 0.32
GSK3A P49840 1/20 0.32
PDK2 Q15119 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 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
SCHEMBL20114526 0.97 PTGER4 (0.37) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20114689 0.96 PTGER4 (0.36) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20150371 0.95 PTGER4 (0.38) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20114562 0.94 CHEK1 (0.40) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20156124 0.94 CYP1A2 (0.38) PTGER4CHEK1KMT2AMEN1
SCHEMBL20114554 0.94 PTGER4 (0.36) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20114543 0.94 CHEK1 (0.36) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20114553 0.93 PTGER4 (0.36) PTGER4CHEK1KMT2AMEN1ATM
SCHEMBL20114537 0.92 PTGER4 (0.36) PTGER4PDE10AELANE
SCHEMBL20114546 0.92 PTGER4 (0.37) PTGER4KMT2AMEN1PDE10AELANE

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 4 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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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 PTGER4 1809/4885CHEK1 2795/4885KMT2A 2180/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885CHEK1 2795/4885KMT2A 2180/4885

“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.