SCHEMBL8513636

SCHEMBL8513636

COc1cc(CN)nc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.54
FFAR1 O14842 3/20 0.46
CRHR1 P34998 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
RUNX1 Q01196 1/20 0.43
CCR1 P32246 4/20 0.42
CCR5 P51681 4/20 0.42
CCR8 P51685 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
METAP1 P53582 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 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
Caerulomycin F SCHEMBL29884857 0.85 HSP90AA1 (0.58) HSP90AA1FFAR1CRHR1NPC1RAB9A
SCHEMBL197885 0.84 HSP90AA1 (0.66) HSP90AA1FFAR1CRHR1NPC1RAB9A
SCHEMBL7771784 0.79 HSP90AA1 (0.45) HSP90AA1FFAR1NPC1RAB9ACCR1
SCHEMBL8515531 0.79 LYN (0.42) LMNAL3MBTL1KDM4ECYP1A2POLB
SCHEMBL4735238 0.78 HSP90AA1 (0.59) HSP90AA1FFAR1CRHR1NPC1RAB9A
SCHEMBL8515849 0.78 HSP90AA1 (0.47) HSP90AA1FFAR1SMN1; SMN2LMNAGAA
SCHEMBL3666895 0.78 NPC1 (0.47) FFAR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14615313 0.77 HSP90AA1 (0.58) HSP90AA1FFAR1CRHR1NPC1RAB9A
SCHEMBL1366769 0.77 HSP90AA1 (0.58) HSP90AA1FFAR1CRHR1NPC1RAB9A
SCHEMBL17850518 0.76 KAT6A (0.43) HSP90AA1FFAR1CRHR1SMN1; SMN2L3MBTL1

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
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2014-01-02 US disclosed
EP-2643299-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS Noscira, S.A. (ES) 2013-10-02 EP disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 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-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS SNCA, PSEN2, PSEN1 HSP90AA1 215/4885FFAR1 2038/4885CRHR1 3971/4885

“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.