Sugi Predict

Sugi Predict / Compounds / SCHEMBL9987332

SCHEMBL9987332

SCHEMBL9987332

c1ccc(-c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ TDP1 Q9NUW8 4/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ LMNA P02545 3/20 0.41

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
SCHEMBL14208887 0.96 ALDH1A1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12460067 0.96 ALDH1A1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL10247277 0.92 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12460943 0.92 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12073734 0.92 ALDH1A1 (0.50) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL14883345 0.90 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL24255839 0.90 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL16383629 0.90 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL24255829 0.90 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12460927 0.88 ALDH1A1 (0.40) L3MBTL1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593087-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
US-9593087-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
US-9593087-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
US-20130099171-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-04-25 — — US disclosed
US-20130099171-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-04-25 — — US disclosed
US-20130099171-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-04-25 — — US disclosed
WO-2011160758-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 — — WO disclosed
WO-2011160758-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 — — WO 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-20130099171-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM L3MBTL1 2186/4885MEN1 331/4885KMT2A 3247/4885

“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.