SCHEMBL17995337

SCHEMBL17995337

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6cccc7ccc4c5c67)n3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 4/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 4/20 0.38

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
SCHEMBL12200428 0.98 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17995353 0.97 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL26158738 0.95 L3MBTL1 (0.45) CYP1A2L3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL12200479 0.93 L3MBTL1 (0.47) CYP1A2L3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL19271456 0.92 ALDH1A1 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17083459 0.91 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21309360 0.90 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16521876 0.89 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18878313 0.88 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18878307 0.88 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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-10418562-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 US disclosed
US-20160233429-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-08-11 US disclosed
US-20160233429-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-08-11 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-10418562-B2 Organic electroluminescent materials and devices NBAS, TBCB, SLC1A2 CYP1A2 1121/4885ERBB2 2580/4885FYN 3275/4885
US-20160233429-A1 Organic Electroluminescent Materials and Devices NBAS, TBCB, SLC1A2 CYP1A2 1121/4885ERBB2 2580/4885FYN 3275/4885

“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.