Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894442

SCHEMBL6894442

SCHEMBL6894442

COC(=O)CC1CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ EGFR P00533 5/20 0.38
▸ FGFR2 P21802 5/20 0.38
▸ TYK2 P29597 1/20 0.37
▸ FASN P49327 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL6894483 0.90 EGFR (0.40) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL584423 0.86 PIK3CA (0.40) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL6893511 0.86 EGFR (0.38) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL6894431 0.83 CHEK1 (0.44) MTORAKT1TYK2
SCHEMBL593759 0.82 EGFR (0.41) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL6891513 0.82 FGFR2 (0.37) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL6891509 0.81 NEK2 (0.42) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL10280567 0.80 NPC1 (0.41) PIK3CAEGFRFGFR2HSP90AA1KDM4E
SCHEMBL6896005 0.77 EGFR (0.39) MTORAKT1PIK3CAEGFRFGFR2
SCHEMBL10239709 0.77 PIK3CA (0.37) MTORAKT1PIK3CAEGFRFGFR2

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 MTOR 1824/4885AKT1 2064/4885PIK3CA 2681/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885AKT1 230/4885PIK3CA 34/4885

“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.