SCHEMBL20150303

SCHEMBL20150303

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
NR1I3 Q14994 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.36

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
SCHEMBL20150305 0.97 AR (0.43) ARNR1I3MAPTKDM4EL3MBTL1
SCHEMBL20150309 0.94 ABCG2 (0.36) ARNR1I3KDM4EKMT2AMEN1
SCHEMBL20150308 0.93 NPSR1 (0.37) ARMAPTKDM4EADORA2AADORA1
SCHEMBL20150294 0.93 ABCG2 (0.38) MAPTKDM4EL3MBTL1ADORA2AADORA1
SCHEMBL20114522 0.91 CYP11B1 (0.37) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL21116334 0.91 AR (0.47) ARMAPTKDM4EL3MBTL1ADORA2A
SCHEMBL19953866 0.91 ALDH1A1 (0.37) MAPTKDM4EL3MBTL1KMT2AMEN1
SCHEMBL21109691 0.91 CYP1A2 (0.38) ARNR1I3MAPTKDM4EL3MBTL1
SCHEMBL20115004 0.90 ABCG2 (0.38) ARMAPTKDM4EL3MBTL1ADORA2A
SCHEMBL20150333 0.89 L3MBTL1 (0.41) KDM4EL3MBTL1KMT2AMEN1ALDH1A1

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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US 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 AR 3892/4885NR1I3 1845/4885MAPT 1257/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885NR1I3 1845/4885MAPT 1257/4885

“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.