SCHEMBL1155095

SCHEMBL1155095

N#Cc1c(F)cccc1OCc1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
IDO1 P14902 2/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HTR6 P50406 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DHFR P00374 2/20 0.38
DCPS Q96C86 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL1154287 0.88 MCL1 (0.55) MCL1IDO1MAPK14LMNAALDH1A1
SCHEMBL1154503 0.83 HSD11B1 (0.50) MCL1IDO1LMNANPC1RAB9A
SCHEMBL1154549 0.83 MCL1 (0.47) MCL1MAPK14LMNAALDH1A1USP2
SCHEMBL1155300 0.83 ALDH1A1 (0.47) MCL1IDO1MAPK14LMNAALDH1A1
SCHEMBL1155151 0.81 MAOB (0.46) MCL1IDO1MAPK14LMNAALDH1A1
SCHEMBL646003 0.79 NPC1 (0.51) MAPK14LMNAALDH1A1NPC1RAB9A
SCHEMBL1154720 0.78 MAPK14 (0.60) IDO1MAPK14MAOB
SCHEMBL1155449 0.78 MAPK14 (0.48) MCL1MAPK14LMNAALDH1A1USP2
SCHEMBL1154971 0.78 NPC1 (0.51) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL27320318 0.77 PLAU (0.47) IDO1ALDH1A1NPC1RAB9AGAA

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 MCL1 4628/4885IDO1 3119/4885MAPK14 1389/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B MCL1 4628/4885IDO1 3119/4885MAPK14 1389/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B MCL1 4628/4885IDO1 3119/4885MAPK14 1389/4885

“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.