SCHEMBL8556776

SCHEMBL8556776

Cn1c(=O)ccc2cc(I)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 16/20 0.62
BRD4 O60885 5/20 0.55
BRD9 Q9H8M2 5/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
KAT2B Q92831 1/20 0.55
BRD1 O95696 9/20 0.47
BRPF3 Q9ULD4 4/20 0.47
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
BCL6 P41182 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 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
SCHEMBL1948671 0.86 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL422084 0.78 BRPF1 (0.65) BRPF1BRD4BRD9CA12CA9
SCHEMBL29213971 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL7085783 0.77 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL1238373 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL31202712 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL9257087 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL2172818 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL1771879 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL30798989 0.77 BTK (0.42) BRPF1MAPT

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
EP-3180339-B1 6-ALKYNYL-PYRIDINE DERIVATIVES AS SMAC MIMETICS BOEHRINGER INGELHEIM INT (DE) 2018-12-05 EP disclosed
EP-3036228-B1 NEW 6-ALKYNYL PYRIDINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 EP disclosed
EP-3036228-A1 NEW 6-ALKYNYL PYRIDINE Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
US-9278978-B2 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-20150057295-A1 New 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
WO-2015025019-A1 NEW 6-ALKYNYL PYRIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US disclosed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP 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-20150057295-A1 New 6-Alkynyl Pyridine MKI67, SMARCC1, SMARCC2 BRPF1 1490/4885BRD4 191/4885BRD9 2427/4885

“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.