SCHEMBL1154947

SCHEMBL1154947

Cc1ccc(CC(=O)O)c(-c2cccc(F)c2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
ABCB11 O95342 1/20 0.45
PTGS1 P23219 1/20 0.45
PPARG P37231 1/20 0.45
NR1I3 Q14994 1/20 0.45
SRC P12931 1/20 0.42
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
POLQ O75417 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CXCL8 P10145 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL1155129 0.84 HSD17B10 (0.45) PTGS1FFAR1POLQCD274MAPT
SCHEMBL1154512 0.84 CXCL8 (0.47) PTGS2CXCL8ALDH1A1POLBKMT2A
SCHEMBL1154531 0.74 PPARG (0.43) PPARGPOLQMAPTSMN1; SMN2ALDH1A1
SCHEMBL1154380 0.72 TDP1 (0.43) POLQALDH1A1POLBKMT2A
SCHEMBL9890680 0.72 SRC (0.47) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL5545008 0.71 SRC (0.59) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL28804467 0.71 SRC (0.46) PTGS2PTGS1SRCFFAR4POLQ
SCHEMBL19062287 0.71 ALDH1A1 (0.46) POLQMAPTTAS1R3TAS1R1TAS1R2
SCHEMBL9890649 0.70 PTGS1 (0.59) PTGS2PTGS1SRCMAPTALOX15
SCHEMBL13601699 0.70 POLQ (0.41) POLQALDH1A1

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 PTGS2 3674/4885ABCB11 4380/4885PTGS1 4131/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B PTGS2 3674/4885ABCB11 4380/4885PTGS1 4131/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B PTGS2 3674/4885ABCB11 4380/4885PTGS1 4131/4885

“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.