SCHEMBL2431885

SCHEMBL2431885

Brc1cnc2[nH]c(-c3ccc(-c4cnco4)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PARP1 P09874 1/20 0.41
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
PTK2 Q05397 1/20 0.40
KEAP1 Q14145 1/20 0.38
AAK1 Q2M2I8 4/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
AURKA O14965 1/20 0.36
LTA4H P09960 1/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL2428564 0.85 PARP1 (0.41) GAAMEN1KMT2APARP1NOTUM
SCHEMBL2429948 0.81 GAA (0.56) GAAMEN1KMT2APARP1NOTUM
SCHEMBL2434249 0.80 AURKA (0.60) GAAMEN1KMT2APARP1NOTUM
SCHEMBL4843914 0.78 KDR (0.57) MEN1KMT2APARP1AURKAABL1
SCHEMBL13607851 0.78 ALDH1A1 (0.47) PARP1PKMAURKAABL1RET
SCHEMBL4839487 0.78 TBK1 (0.45) PARP1AURKAABL1RETKDR
SCHEMBL4843784 0.78 MMP2 (0.56) GAAMEN1KMT2APARP1LMNA
SCHEMBL9692091 0.78 NPC1 (0.47) GAAMEN1KMT2ALMNAPKM
SCHEMBL13607760 0.78 PTGES (0.51) GAAMEN1KMT2APARP1LMNA
SCHEMBL4840403 0.77 AURKA (0.40) PTK2AURKAABL1RETKDR

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 GAA 452/4885MEN1 609/4885KMT2A 3062/4885

“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.