SCHEMBL2566840

SCHEMBL2566840

CSc1cc(-c2ccccc2)ccc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
RECQL P46063 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
SCHEMBL2570214 0.78 CHRM5 (0.56) MAPTSMN1; SMN2CASP3CHRM5
SCHEMBL2567485 0.78 RXFP1 (0.55) MAPTCASP3RXFP1KMT2APDCD1
SCHEMBL25047046 0.77 BCL2 (0.40) MAPTSMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL25817645 0.75 MAPT (0.46) MAPTSMN1; SMN2CASP3RXFP1KMT2A
SCHEMBL2570879 0.75 CASP3 (0.44) CASP3RXFP1KMT2AALDH1A1RECQL
SCHEMBL2806608 0.74 MEN1 (0.49) MAPTSMN1; SMN2CASP3RXFP1KMT2A
SCHEMBL27604583 0.74 KMT2A (0.44) MAPTRXFP1KMT2APDCD1CD274
SCHEMBL2572690 0.72 TAAR1 (0.44) MAPTKMT2AMEN1ALDH1A1HDAC1
SCHEMBL1691386 0.72 CASP3 (0.68) MAPTSMN1; SMN2CASP3KMT2APKM
SCHEMBL5697024 0.72 MAPT (0.54) MAPTSMN1; SMN2CASP3KMT2APKM

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-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 MAPT 3754/4885SMN1; SMN2 3644/4885CASP3 1074/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MAPT 3869/4885SMN1; SMN2 4154/4885CASP3 1194/4885

“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.