SCHEMBL2428564

SCHEMBL2428564

Ic1cnc2[nH]c(-c3ccc(-c4cnco4)cc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 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
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
AAK1 Q2M2I8 6/20 0.37
CD38 P28907 1/20 0.36
LTA4H P09960 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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 0.85 GAA (0.51) PARP1NOTUMGAALMNAPKM
SCHEMBL2429105 0.81 PARP1 (0.47) PARP1NOTUMGAALMNAPKM
SCHEMBL2430710 0.76 CYP3A4 (0.46) PARP1NOTUMGAALMNAPKM
SCHEMBL10187964 0.73 PKM (0.64) NOTUMGAALMNAPKMCYP11B1
SCHEMBL2429948 0.70 GAA (0.56) PARP1NOTUMGAALMNAPKM
SCHEMBL10768177 0.68 PKM (0.78) NOTUMGAALMNAPKMCYP11B1
SCHEMBL2434249 0.67 AURKA (0.60) PARP1NOTUMGAALMNAPKM
SCHEMBL2433296 0.65 KDM4E (0.44) NOTUMGAALMNAPKMCYP11B1
SCHEMBL5621043 0.64 ALDH1A1 (0.54) PARP1GAALMNAPKMCYP3A4
SCHEMBL9692300 0.64 ALDH1A1 (0.54) GAALMNAPKMCYP3A4MEN1

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 5 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 claimed
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 PARP1 3561/4885NOTUM 4229/4885GAA 452/4885

“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.