SCHEMBL1491055

SCHEMBL1491055

CC(C)c1ccc(Cn2nccc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
PKM P14618 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPBWR1 P48145 3/20 0.45
IDO1 P14902 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
DGAT1 O75907 1/20 0.38
F2R P25116 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
NT5E P21589 1/20 0.37
PKLR P30613 1/20 0.37
ADORA2A P29274 1/20 0.37
MCHR1 Q99705 2/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL6760429 0.86 KDM4E (0.81) KDM4EPKMALDH1A1POLBGAA
SCHEMBL1491057 0.82 KDM4E (0.70) KDM4EPKMALDH1A1NPBWR1POLB
SCHEMBL1491131 0.81 FLT1 (0.42) KDM4EPKMALDH1A1NPBWR1IDO1
SCHEMBL1491083 0.81 KDM4E (0.68) KDM4EPKMALDH1A1NPBWR1POLB
SCHEMBL1491061 0.80 KDM4E (0.57) KDM4EPKMALDH1A1POLBGAA
SCHEMBL1491139 0.78 KDM4E (0.64) KDM4EPKMALDH1A1IDO1POLB
SCHEMBL1491104 0.78 KDM4E (0.58) KDM4EPKMALDH1A1NPBWR1POLB
SCHEMBL1491118 0.77 KDM4E (0.68) KDM4EPKMALDH1A1POLBSLC2A1
SCHEMBL12340306 0.77 KDM4E (0.68) KDM4EPKMALDH1A1IDO1POLB
SCHEMBL568868 0.77 KDM4E (0.72) KDM4EPKMALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
WO-2020227368-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 WO disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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 (3 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-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 KDM4E 1421/4885PKM 3236/4885ALDH1A1 2482/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KDM4E 2955/4885PKM 2177/4885ALDH1A1 3233/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 KDM4E 1421/4885PKM 3236/4885ALDH1A1 2482/4885

“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.