SCHEMBL2434249

SCHEMBL2434249

Brc1cnc2nc(-c3ccc(-c4cnco4)cc3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.60
GAA P10253 1/20 0.51
PARP1 P09874 1/20 0.46
ESR1 P03372 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
KIF11 P52732 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GUSB P08236 1/20 0.40
PAK4 O96013 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
PTK2 Q05397 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL2431885 0.80 GAA (0.51) AURKAGAAPARP1MEN1KMT2A
SCHEMBL4060567 0.78 AURKA (0.68) AURKAESR1SMN1; SMN2MEN1KMT2A
SCHEMBL2429948 0.78 GAA (0.56) GAAPARP1MEN1KMT2ANOTUM
SCHEMBL1667430 0.78 AURKA (0.68) AURKAGAAESR1SMN1; SMN2MEN1
SCHEMBL4053079 0.75 AURKA (0.67) AURKASMN1; SMN2LMNAPKMIKBKE
SCHEMBL28656757 0.74 MMP2 (0.64) AURKASMN1; SMN2MEN1KMT2APTGDR2
SCHEMBL4054884 0.73 AURKA (0.61) AURKAESR1SMN1; SMN2MEN1KMT2A
SCHEMBL4177192 0.73 AURKA (0.67) AURKAPARP1ESR1SMN1; SMN2KMT2A
SCHEMBL4060379 0.72 AURKA (0.56) AURKAPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL16471241 0.72 AURKA (0.63) AURKAESR1SMN1; SMN2PTGDR2KIF11

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-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 AURKA 3750/4885GAA 452/4885PARP1 3561/4885

“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.