Sugi Predict

Sugi Predict / Compounds / SCHEMBL4112973

SCHEMBL4112973

SCHEMBL4112973

C[Si](C)(C)CCOCn1cnc2c(-n3cnc4ccc(OCc5ccccc5)cc43)nc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.38
▸ PDE10A Q9Y233 5/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ YTHDC1 Q96MU7 4/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ SRD5A2 P31213 1/20 0.32

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
SCHEMBL4109281 0.93 FGFR1 (0.39) DGAT1YTHDC1CNR2ADORA2ANPC1
SCHEMBL12537185 0.79 DGAT1 (0.40) DGAT1YTHDC1ALDH1A1HPGDADORA2A
SCHEMBL21883533 0.78 DAPK1 (0.46) DGAT1YTHDC1CNR2ADORA2A
SCHEMBL30496465 0.78 DAPK1 (0.46) DGAT1YTHDC1CNR2ADORA2A
SCHEMBL30002763 0.72 MKNK1 (0.38) MAPK1NPC1
SCHEMBL28894262 0.72 MKNK1 (0.38) MAPK1NPC1
SCHEMBL3267555 0.70 P2RX7 (0.43) DGAT1YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL30496451 0.70 P2RX7 (0.43) DGAT1YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL25261668 0.69 DGAT1 (0.43) DGAT1MAPK1NPC1RAB9A
SCHEMBL30542312 0.69 DGAT1 (0.43) DGAT1MAPK1NPC1RAB9A

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-7476670-B2 Purine derivatives, method for preparing, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2009-01-13 — — US disclosed
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 — — EP disclosed
US-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S. A. (FR) 2007-08-09 — — US disclosed
EP-1597258-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-11-23 — — EP disclosed
WO-2004073595-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-09-02 — — 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-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use NR4A3, NR4A1, ADORA3 DGAT1 4045/4885PDE10A 767/4885CYP1A2 279/4885

“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.