SCHEMBL20114562

SCHEMBL20114562

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4)ccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

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
GRM2 Q14416 1/20 0.34
PGR P06401 1/20 0.33
CYP11B1 P15538 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
FLT3 P36888 2/20 0.33
PDE10A Q9Y233 1/20 0.32
MARK3 P27448 1/20 0.32
GSK3A P49840 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
MAP4K4 O95819 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
SCHEMBL20150346 0.95 CHEK1 (0.36) CHEK1HRH4PIK3CDPIK3CAPTGER4
SCHEMBL20114643 0.94 PTGER4 (0.39) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL20114543 0.94 CHEK1 (0.36) CHEK1KMT2APTGER4CYP11B2CYP11B1
SCHEMBL20150372 0.94 CYP11B2 (0.34) CHEK1KMT2APTGER4CYP11B2GRM2
SCHEMBL20115142 0.93 CHEK1 (0.34) CHEK1KMT2APTGER4CYP11B2CYP11B1
SCHEMBL20114569 0.92 CLK4 (0.38) CHEK1KMT2APGRMEN1MAP4K4
SCHEMBL20150354 0.92 CHEK1 (0.34) CHEK1KMT2APTGER4CYP11B2GRM2
SCHEMBL20114538 0.91 TDP2 (0.34) CYP11B2CYP11B1EGLN2
SCHEMBL20114526 0.91 PTGER4 (0.37) CHEK1KMT2APTGER4FLT3PDE10A
SCHEMBL22268550 0.91 CHEK1 (0.40) CHEK1HRH4PIK3CDPIK3CAKMT2A

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 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.