SCHEMBL3318331

SCHEMBL3318331

CC(C)(C)OC(=O)NN(c1nc(Cl)nc2c1ncn2C1CCCCO1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.53
CYP2C19 P33261 1/20 0.39
NT5E P21589 2/20 0.38
FLT3 P36888 3/20 0.37
TMIGD3 P0DMS9 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL3322465 0.99 YTHDC1 (0.54) YTHDC1CYP2C19NT5EFLT3TMIGD3
SCHEMBL3313572 0.88 YTHDC1 (0.41) YTHDC1CYP2C19FLT3TP53CYP2C9
SCHEMBL13423459 0.87 YTHDC1 (0.52) YTHDC1CYP2C19NT5EFLT3TMIGD3
SCHEMBL3321434 0.87 YTHDC1 (0.41) YTHDC1CYP2C19FLT3TP53CYP2C9
SCHEMBL13423485 0.86 YTHDC1 (0.53) YTHDC1CYP2C19NT5EFLT3TMIGD3
SCHEMBL3322354 0.86 YTHDC1 (0.51) YTHDC1CYP2C19NT5EFLT3TMIGD3
SCHEMBL3319192 0.84 CDK1 (0.43) YTHDC1NT5ETMIGD3HTR2CHTR2B
SCHEMBL17262785 0.79 YTHDC1 (0.63) YTHDC1CYP2C19NT5EFLT3TMIGD3
SCHEMBL17902917 0.78 YTHDC1 (0.60) YTHDC1FLT3CYP1A2ADORA3NPC1
SCHEMBL13423484 0.74 YTHDC1 (0.41) YTHDC1CYP2C19FLT3TP53CYP2C9

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
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP YTHDC1 3386/4885CYP2C19 588/4885NT5E 429/4885

“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.