SCHEMBL20114547

SCHEMBL20114547

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C#N)ccc2-c2nc(C)nc(C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.37
PTGER4 P35408 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 7/20 0.33
GRM2 Q14416 1/20 0.33
CHEK1 O14757 1/20 0.32
PGR P06401 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FLT3 P36888 2/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ITK Q08881 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
SCHEMBL20114559 0.95 PTGER4 (0.42) MAPKAPK2PTGER4PIK3CDPIK3CAFLT3
SCHEMBL20150396 0.91 MAPKAPK2 (0.37) MAPKAPK2PTGER4PIK3CDPIK3CAALDH1A1
SCHEMBL20150346 0.91 CHEK1 (0.36) MAPKAPK2PTGER4PIK3CDPIK3CAALDH1A1
SCHEMBL22268468 0.91 MAPKAPK2 (0.37) MAPKAPK2PTGER4PIK3CDPIK3CAALDH1A1
SCHEMBL20114549 0.90 CLK4 (0.41) PTGER4ALDH1A1CHEK1PGR
SCHEMBL20114689 0.88 PTGER4 (0.36) MAPKAPK2PTGER4GRM2CHEK1FLT3
SCHEMBL20114686 0.88 ABCG2 (0.38) MAPKAPK2PTGER4PIK3CDPIK3CAALDH1A1
SCHEMBL22268473 0.86 PTGER4 (0.40) MAPKAPK2PTGER4PIK3CDPIK3CAFLT3
SCHEMBL20150390 0.86 PTGER4 (0.42) MAPKAPK2PTGER4PIK3CDPIK3CA
SCHEMBL21109678 0.86 MAPKAPK2 (0.38) MAPKAPK2PTGER4PIK3CDPIK3CAALDH1A1

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 MAPKAPK2 3348/4885PTGER4 1809/4885PIK3CD 4371/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 MAPKAPK2 3348/4885PTGER4 1809/4885PIK3CD 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.