SCHEMBL17336399

SCHEMBL17336399

O=C(O)Nc1cc2cc(Br)ncc2cc1Br

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NTRK1 P04629 2/20 0.34
ATR Q13535 1/20 0.33
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MTOR P42345 1/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SNCA P37840 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28042337 0.81 NPC1 (0.37) NPC1RAB9AMAPTGAANFKB1
SCHEMBL17346957 0.79 GSK3B (0.40) ATRCA1CA2
SCHEMBL21635149 0.77 ABL1 (0.42) ATRMTORABL1
SCHEMBL16208226 0.73 NPC1 (0.33) NPC1RAB9AMAPTGAANFKB1
SCHEMBL17336616 0.71 MAPT (0.58) MAPT
SCHEMBL23461777 0.71 KDM4E (0.37) NPC1RAB9AGAASMN1; SMN2
SCHEMBL15541313 0.71 NPC1 (0.35) NPC1RAB9AMAPTGAANFKB1
SCHEMBL9938191 0.70 PTGDR2 (0.33)
SCHEMBL16834154 0.70 L3MBTL1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL27083575 0.68 RAB9A (0.38) NPC1RAB9AMAPTGAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154970-B1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MERCK SHARP & DOHME CORP. (US) 2018-07-17 US disclosed
US-20180071412-A1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME CORP. (US) 2018-03-15 US disclosed
US-9808542-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrillary MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170119912-A1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILLARY MERCK SHARP & DOHME CORP. (US) 2017-05-04 US disclosed
EP-3154970-A2 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES Merck Sharp & Dohme Corp. (US) 2017-04-19 EP disclosed
WO-2015191506-A2 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME CORP. (US) 2015-12-17 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 (3 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-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MAPT, SNCA, PARK7 NPC1 939/4885RAB9A 1163/4885MAPT 1/4885
US-20170119912-A1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILLARY MAPT, SNCA, PARK7 NPC1 1239/4885RAB9A 1065/4885MAPT 1/4885
US-20180071412-A1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MAPT, SNCA, PARK7 NPC1 939/4885RAB9A 1163/4885MAPT 1/4885

“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.