SCHEMBL1155006

SCHEMBL1155006

N#Cc1c(F)cccc1C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ALDH1A1 P00352 1/20 0.40
S1PR3 Q99500 8/20 0.38
S1PR1 P21453 3/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CNR2 P34972 1/20 0.36
CNR1 P21554 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
SCHEMBL1154516 0.89 ALDH1A1 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1HDAC4
SCHEMBL1154948 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1HDAC4
SCHEMBL1155132 0.83 KMT2A (0.41) ALDH1A1S1PR3S1PR1CNR2CNR1
SCHEMBL1155014 0.83 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1S1PR3
SCHEMBL1154381 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL467546 0.70 HDAC4 (0.59) S1PR3S1PR1PPARGPPARAHDAC4
SCHEMBL1154533 0.69 KMT2A (0.39) ALDH1A1
SCHEMBL3085558 0.69 ALDH1A1 (0.49) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9337191 0.69 CNR1 (0.56) S1PR3S1PR1HDAC4HDAC7HDAC5
Hydrochloric Acid SCHEMBL933980 0.68 HDAC4 (0.57) S1PR3S1PR1PPARGPPARAHDAC4

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 TAS1R3 3099/4885TAS1R1 3789/4885TAS1R2 3219/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B TAS1R3 3099/4885TAS1R1 3789/4885TAS1R2 3219/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B TAS1R3 3099/4885TAS1R1 3789/4885TAS1R2 3219/4885

“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.