SCHEMBL20156126

SCHEMBL20156126

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TRPA1 O75762 1/20 0.37
CLK4 Q9HAZ1 3/20 0.36
MAPK1 P28482 2/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA1 P14867 3/20 0.36
GABRA2 P47869 2/20 0.36
ABCG2 Q9UNQ0 4/20 0.36
GABRA5 P31644 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
SCHEMBL27019916 0.98 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL20156113 0.97 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL27015967 0.95 CYP1A2 (0.37) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL27019438 0.95 CYP1A2 (0.37) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL22243000 0.95 NR3C1 (0.39) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL20114566 0.95 ABCG2 (0.37) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL27019435 0.94 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL27019865 0.94 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL26052142 0.94 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10HPGDMEN1
SCHEMBL26052093 0.94 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10HPGDMEN1

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 2 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

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 CYP1A2 659/4885CYP3A4 950/4885HSD17B10 3805/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885HSD17B10 3805/4885

“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.