SCHEMBL1154616

SCHEMBL1154616

Cc1cccc(Sc2cccc(F)c2C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
AR P10275 5/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 2/20 0.41
HTR3A P46098 2/20 0.41
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.35
CXCR2 P25025 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8410372 0.89 AR (0.40) L3MBTL1KDM4EMAPTARPGR
SCHEMBL2075358 0.84 L3MBTL1 (0.42) L3MBTL1KDM4EMAPTARPGR
SCHEMBL9014990 0.83 AR (0.36) L3MBTL1KDM4EMAPTARPGR
SCHEMBL8412919 0.82 AR (0.36) KDM4EMAPTARPGRHTR1A
SCHEMBL8641894 0.82 KDM4E (0.44) L3MBTL1KDM4EMAPTARHTR1A
SCHEMBL9015004 0.82 AR (0.42) KDM4EMAPTARPGRSMN1; SMN2
SCHEMBL8410613 0.81 DHFR (0.44) KDM4EMAPTARPGRHTR1A
SCHEMBL7870119 0.78 L3MBTL1 (0.43) L3MBTL1KDM4EMAPTARHTR1A
SCHEMBL9014929 0.77 AR (0.36) L3MBTL1KDM4EARPGRALDH1A1
SCHEMBL8642795 0.76 SMN1; SMN2 (0.48) L3MBTL1KDM4EMAPTHTR1AHTR3A

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 10 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
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 L3MBTL1 2733/4885KDM4E 214/4885MAPT 597/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B L3MBTL1 2733/4885KDM4E 214/4885MAPT 597/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B L3MBTL1 2733/4885KDM4E 214/4885MAPT 597/4885

“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.