SCHEMBL6724434

SCHEMBL6724434

CN(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 1/20 0.36
HTR7 P34969 2/20 0.35
BACE1 P56817 1/20 0.34
PSMB5 P28074 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6724506 0.98 TACR1 (0.38) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6724496 0.93 MEN1 (0.38) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6724024 0.93 PTGER1 (0.37) TACR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3370037 0.90 TACR1 (0.41) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6724005 0.87 CHKA (0.39) TACR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13826147 0.85 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6723824 0.85 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6723582 0.85 CHKA (0.41) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL6723970 0.85 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6723985 0.85 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735371-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9735371-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
EP-2699641-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-17 EP disclosed
US-20140231715-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-08-21 US disclosed
US-20140231715-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-08-21 US disclosed
WO-2012143079-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-10-26 WO disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 TACR1 4232/4885MEN1 974/4885KMT2A 1322/4885
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, CYP1B1, CYP2C9 TACR1 567/4885MEN1 105/4885KMT2A 2113/4885

“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.