SCHEMBL20115008

SCHEMBL20115008

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
AR P10275 1/20 0.34
TRPA1 O75762 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
CHEK1 O14757 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20115006 0.97 CYP11B1 (0.37) PTGER4CYP11B1CYP11B2ARTRPA1
SCHEMBL20114652 0.92 PTGER4 (0.36) PTGER4CYP11B1CYP11B2ARTRPA1
SCHEMBL20114694 0.92 PTGER4 (0.38) PTGER4PDE10AMEN1KMT2AATM
SCHEMBL20150413 0.91 PTGER4 (0.35) PTGER4CYP11B1CYP11B2PDE10AMEN1
SCHEMBL20156117 0.91 TRPA1 (0.37) PTGER4TRPA1PDE10AMEN1KMT2A
SCHEMBL21090397 0.91 MEN1 (0.37) PTGER4CYP11B1CYP11B2ARMEN1
SCHEMBL20156218 0.91 PTGER4 (0.39) PTGER4PDE10AMEN1KMT2AATM
SCHEMBL20150380 0.90 PTGER4 (0.37) PTGER4PDE10AMEN1KMT2AATM
SCHEMBL20156176 0.90 PTGER4 (0.36) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20114584 0.89 PTGER4 (0.36) PTGER4PDE10AMEN1KMT2AATM

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 5 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
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 1809/4885CYP11B1 1765/4885CYP11B2 1259/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885CYP11B1 1765/4885CYP11B2 1259/4885

“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.