Sugi Predict

Sugi Predict / Compounds / SCHEMBL6891730

SCHEMBL6891730

SCHEMBL6891730

N#Cc1c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ SENP8 Q96LD8 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ SENP6 Q9GZR1 2/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EGFR P00533 3/20 0.33
▸ FGFR2 P21802 3/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CCNA2 P20248 1/20 0.33

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
SCHEMBL10234732 0.89 KDM4E (0.37) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL6894370 0.87 ALDH1A1 (0.40) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL585053 0.87 ADORA2A (0.45) MEN1KMT2ANPC1ADORA2AALDH1A1
SCHEMBL6891750 0.86 EGFR (0.36) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL7883380 0.86 MEN1 (0.36) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL10234737 0.84 NPC1 (0.39) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL6894351 0.84 PARP10 (0.37) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL7881257 0.83 PIK3CA (0.35) AKT1MEN1KMT2ANPC1CASP3
SCHEMBL6894955 0.83 EGFR (0.34) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL6893608 0.83 MAP4K4 (0.38) AKT1MEN1KMT2ANPC1CASP3

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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 (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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 AKT1 2064/4885AKT2 2213/4885AKT3 1960/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR AKT1 230/4885AKT2 175/4885AKT3 132/4885

“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.