SCHEMBL2166026

SCHEMBL2166026

CCOC(=O)C1CCC(Oc2c(F)cccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10148356 0.84 LPAR1 (0.52) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL16507018 0.84 LPAR1 (0.52) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL10148338 0.82 ALDH1A1 (0.44) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL10148340 0.82 ALDH1A1 (0.44) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL3769664 0.80 CYP2C19 (0.48) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL663950 0.80 ALDH1A1 (0.49) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL663949 0.80 ALDH1A1 (0.49) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL10148089 0.78 POLB (0.52) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL5517458 0.78 POLB (0.52) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL30929539 0.78 ALDH1A1 (0.54) KDM4ESMN1; SMN2TSHRPOLBKMT2A

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
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US disclosed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 KDM4E 548/4885SMN1; SMN2 1/4885TSHR 4604/4885

“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.