SCHEMBL482160

SCHEMBL482160

O=C(O)n1cnc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.45
SIK2 Q9H0K1 2/20 0.45
SIK3 Q9Y2K2 2/20 0.45
FGFR1 P11362 3/20 0.39
HCAR3 P49019 1/20 0.39
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ASAH1 Q13510 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36
STAT6 P42226 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12502297 0.86 FABP4 (0.40) SIK1SIK2SIK3FGFR1MCL1
SCHEMBL5440622 0.83 KMT2A (0.54) SIK1SIK2SIK3FGFR1SMN1; SMN2
SCHEMBL28227235 0.79 FGFR1 (0.60) FGFR1HCAR3ALDH1A1HSD17B10HPGD
SCHEMBL16822326 0.79 KMT2A (0.49) FGFR1HCAR3SMN1; SMN2ASAH1ALDH1A1
SCHEMBL19716710 0.79 FGFR1 (0.53) FGFR1HCAR3SMN1; SMN2ASAH1KMT2A
SCHEMBL19717080 0.79 ASAH1 (0.40) FGFR1HCAR3SMN1; SMN2ASAH1ALDH1A1
SCHEMBL559567 0.77 SIK1 (0.44) SIK1SIK2SIK3MCL1SMN1; SMN2
SCHEMBL30847454 0.77 SIK1 (0.44) SIK1SIK2SIK3MCL1SMN1; SMN2
SCHEMBL5775655 0.77 HDAC1 (0.42) FGFR1HCAR3SMN1; SMN2ASAH1ALDH1A1
SCHEMBL19470182 0.76 CSNK2A2 (0.45) SIK1SIK2SIK3MCL1SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661051-A Antibacterial compounds 莱德克斯制药公共有限公司 2017-05-10 CN disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
WO-2017046603-A1 ANTIBACTERIAL COMPOUNDS AND NEW USES THEREOF REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 EP disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 WO disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA SIK1 417/4885SIK2 235/4885SIK3 725/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 SIK1 247/4885SIK2 165/4885SIK3 375/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD SIK1 128/4885SIK2 116/4885SIK3 360/4885

“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.