SCHEMBL11976544

SCHEMBL11976544

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)nc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GBA1 P04062 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL11976565 0.86 MEN1 (0.47) HPGDSNPC1RAB9AADORA3ADORA1
SCHEMBL12628226 0.86 L3MBTL1 (0.57) HPGDSNPC1RAB9AADORA3ADORA1
SCHEMBL2757249 0.82 HPGDS (0.48) HPGDSNPC1RAB9APDGFRBPDGFRA
SCHEMBL17051529 0.82 HPGDS (0.48) HPGDSNPC1RAB9APDGFRBPDGFRA
SCHEMBL6111135 0.82 L3MBTL1 (0.52) NPC1RAB9AADORA3ADORA1MEN1
SCHEMBL11810896 0.82 L3MBTL1 (0.52) NPC1RAB9AADORA3ADORA1MEN1
SCHEMBL11976547 0.81 L3MBTL1 (0.45) NPC1RAB9AADORA3ADORA1PDGFRB
SCHEMBL28791301 0.81 HPGDS (0.44) HPGDSNPC1RAB9AADORA3PKM
SCHEMBL11976553 0.81 L3MBTL1 (0.45) NPC1RAB9AADORA3ADORA1PDGFRB
SCHEMBL16189444 0.80 L3MBTL1 (0.55) HPGDSNPC1RAB9AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 US disclosed
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 US disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 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 (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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 HPGDS 4732/4885NPC1 1597/4885RAB9A 470/4885

“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.