SCHEMBL1154727

SCHEMBL1154727

O=C1c2cc(Cl)ccc2OC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
AR P10275 1/20 0.44
MAOB P27338 2/20 0.44
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
S100A4 P26447 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AHR P35869 2/20 0.38
PPOX P50336 1/20 0.37
ESR1 P03372 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL69705 0.78 CYP19A1 (0.45) CYP19A1ARMAOBRETKDR
SCHEMBL68103 0.75 HSD17B10 (0.47) CYP19A1ARMAOBHTTMAPT
SCHEMBL11108066 0.74 AR (0.48) CYP19A1ARRETKDRS100A4
SCHEMBL11711856 0.74 CYP19A1 (0.42) CYP19A1ARMAOBRETKDR
SCHEMBL13538218 0.73 MAOB (0.43) CYP19A1ARMAOBRETKDR
SCHEMBL69727 0.72 RET (0.53) CYP19A1ARMAOBRETKDR
SCHEMBL9202229 0.70 AR (0.41) CYP19A1ARMAOBRETKDR
Hydrochloric Acid SCHEMBL10917344 0.70 METAP1 (0.49) CYP19A1ARMAOBS100A4ALDH1A1
SCHEMBL85951 0.70 NT5E (0.37) CYP19A1ARMAOBRETKDR
SCHEMBL22617371 0.67 AR (0.54) CYP19A1ARALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 US 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B CYP19A1 4358/4885AR 4227/4885MAOB 493/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B CYP19A1 4358/4885AR 4227/4885MAOB 493/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B CYP19A1 4358/4885AR 4227/4885MAOB 493/4885

“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.