SCHEMBL19933556

SCHEMBL19933556

Clc1ccc(-c2cc(-c3ccc(Br)cn3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.48
▸ TGFBR1 P36897 1/20 0.45
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ MCL1 Q07820 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL2319868 0.87 KDM1A (0.49) PIK3CAPIK3CBPIK3CGMCL1KDM1A
SCHEMBL19933560 0.83 KDM1A (0.46) PIK3CAPIK3CBPIK3CGMCL1KDM1A
SCHEMBL19933687 0.80 TGFBR1 (0.48) MAP4K4TGFBR1MAPKAPK2KDM1AMAOB
SCHEMBL19933640 0.78 MAP4K4 (0.49) MAP4K4TGFBR1PIK3CAPIK3CBPIK3CG
SCHEMBL19933574 0.77 NPC1 (0.52) SMN1; SMN2L3MBTL1NPC1NFKB1MAPK1
SCHEMBL19933709 0.76 TGFBR1 (0.49) MAP4K4TGFBR1MAPKAPK2PIM1CNR1
SCHEMBL1416706 0.75 NPC1 (0.55) GAASMN1; SMN2L3MBTL1NPC1NFKB1
SCHEMBL1033011 0.74 KDM1A (0.50) KDM1AMAOBSMN1; SMN2L3MBTL1NPC1
SCHEMBL2253693 0.74 RAB9A (0.46) SMN1; SMN2L3MBTL1NPC1NFKB1MAPK1
SCHEMBL30056169 0.74 RAB9A (0.46) SMN1; SMN2L3MBTL1NPC1NFKB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 — — EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 — — US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 — — US disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 — — 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 (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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG MAP4K4 3458/4885TGFBR1 2350/4885PIK3CA 3118/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG MAP4K4 3458/4885TGFBR1 2350/4885PIK3CA 3118/4885

“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.

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