SCHEMBL21089883

SCHEMBL21089883

N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4ccc(C#N)cc4-c4nc(-c5ccccc5)nc(-c5cc(C#N)ccc5-n5c6ccccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)n4)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
CYP2D6 P10635 4/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.37
ABCG2 Q9UNQ0 6/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 2/20 0.36
PGR P06401 1/20 0.36
METAP2 P50579 1/20 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
SCHEMBL21090887 0.97 CYP1A2 (0.39) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21090297 0.96 CYP1A2 (0.44) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21090896 0.96 CYP1A2 (0.38) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL20114581 0.95 ABCG2 (0.39) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL20648296 0.95 CYP1A2 (0.40) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21090060 0.95 CYP1A2 (0.41) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21089885 0.94 CYP1A2 (0.39) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL20114585 0.94 CYP1A2 (0.39) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21090889 0.92 CYP1A2 (0.44) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL20996888 0.92 CYP1A2 (0.40) CYP1A2CYP3A4MEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 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 (1 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 CYP1A2 1161/4885CYP3A4 1274/4885MEN1 3148/4885

“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.