SCHEMBL774658

SCHEMBL774658

COc1cccc(CNc2nc(SCc3ccccc3)nc3nc[nH]c23)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
STAT3 P40763 2/20 0.47
IP6K1 Q92551 2/20 0.45
CXCR2 P25025 1/20 0.45
CDK1 P06493 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL742472 0.95 SMN1; SMN2 (0.48) SMN1; SMN2TSHRTP53HSD17B10STAT3
SCHEMBL4924809 0.78 SMN1; SMN2 (0.80) SMN1; SMN2TSHRTP53HSD17B10MAPT
SCHEMBL30411673 0.78 SMN1; SMN2 (0.80) SMN1; SMN2TSHRTP53HSD17B10MAPT
SCHEMBL16146326 0.76 HSD17B10 (0.69) SMN1; SMN2TSHRTP53HSD17B10STAT3
SCHEMBL30523415 0.76 HSD17B10 (0.69) SMN1; SMN2TSHRTP53HSD17B10STAT3
SCHEMBL742471 0.75 CCNE1 (0.45) SMN1; SMN2TSHRTP53CDK1MAPT
SCHEMBL3907002 0.74 CDK1 (0.48) TSHRHSD17B10STAT3IP6K1CXCR2
SCHEMBL30523364 0.74 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53HSD17B10STAT3
SCHEMBL16146477 0.74 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53HSD17B10STAT3
SCHEMBL16146567 0.73 HSD17B10 (0.71) SMN1; SMN2TSHRTP53HSD17B10STAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP SMN1; SMN2 569/4885TSHR 4520/4885TP53 1224/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP SMN1; SMN2 787/4885TSHR 4820/4885TP53 1466/4885

“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.