SCHEMBL1154483

SCHEMBL1154483

N#Cc1c(F)cccc1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
ADORA2A P29274 3/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 3/20 0.38
RET P07949 3/20 0.38
CYP2A6 P11509 3/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2E1 P05181 2/20 0.37
LRRK2 Q5S007 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCAT1 P54687 1/20 0.35
PTPRC P08575 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL9359308 0.81 LRRK2 (0.43) ADORA1ADORA2ARETCYP2A6CYP2B6
SCHEMBL2417201 0.80 ADORA1 (0.49) ADORA1ADORA2ARETCYP2A6CYP2B6
SCHEMBL19062287 0.78 ALDH1A1 (0.46) ADORA1ADORA2AKDM4ELRRK2ALDH1A1
SCHEMBL6438260 0.77 PDGFRB (0.45) ADORA1ADORA2APDGFRBPDGFRACYP2A6
SCHEMBL421370 0.77 ADORA1 (0.51) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL3240839 0.76 CYP2A6 (0.52) PDGFRBPDGFRAKDM4ECYP2A6CYP2B6
SCHEMBL6763494 0.74 ERN1 (0.44) ADORA1ADORA2APDGFRBPDGFRACYP2A6
SCHEMBL3854801 0.73 KDM4E (0.52) ADORA1ADORA2AKDM4ERETALDH1A1
SCHEMBL2569036 0.72 ADORA1 (0.46) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL16680635 0.72 ALDH1A1 (0.42) ADORA1ADORA2AKDM4ELRRK2ALDH1A1

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 13 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
US-7582766-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582766-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 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 ADORA1 1867/4885ADORA2A 1397/4885PDGFRB 2440/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B ADORA1 1867/4885ADORA2A 1397/4885PDGFRB 2440/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B ADORA1 1867/4885ADORA2A 1397/4885PDGFRB 2440/4885

“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.