SCHEMBL1847788

SCHEMBL1847788

COC(=O)c1ccc2c(c1)ncn2C1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 9/20 0.51
HPGD P15428 9/20 0.51
NPC1 O15118 2/20 0.51
FGFR1 P11362 1/20 0.50
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL1844583 0.92 FGFR1 (0.44) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL14723344 0.87 GAA (0.55) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL14723167 0.87 GAA (0.68) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL14723224 0.85 HPGD (0.53) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL14723227 0.85 GAA (0.48) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL14722747 0.84 GAA (0.52) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL30158973 0.80 GAA (0.61) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL18720911 0.78 RXRA (0.58) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL14722627 0.78 GAA (0.45) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL15209528 0.78 GAA (0.45) GAAHSD17B10ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 WO disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 GAA 3564/4885HSD17B10 3921/4885ALDH1A1 2874/4885
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 GAA 3564/4885HSD17B10 3535/4885ALDH1A1 1716/4885

“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.