SCHEMBL476839

SCHEMBL476839

Clc1cccc2nn(C3CCCCO3)cc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
ABL1 P00519 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
YTHDC1 Q96MU7 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX7 Q99572 2/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
MAP3K5 Q99683 1/20 0.31
IL1B P01584 1/20 0.31
ADORA2A P29274 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MCL1 Q07820 1/20 0.30
ACHE P22303 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL476823 0.96 HPGD (0.40) HPGDALDH1A1ESR1P2RX7JAK2
SCHEMBL114987 0.84 ALDH1A1 (0.33) ALDH1A1ABL1ADORA3CYP2C19ADORA2A
SCHEMBL113156 0.79 POLB (0.41) ALDH1A1ABL1SMN1; SMN2
SCHEMBL14300762 0.77 ALDH1A1 (0.36) HPGDALDH1A1ABL1ADORA3CYP2C19
SCHEMBL476859 0.76 ABL1 (0.30) ABL1
SCHEMBL31638156 0.75 FLT3 (0.33) ABL1YTHDC1CYP2C19MCL1
SCHEMBL31178702 0.74 ALDH1A1 (0.33) HPGDALDH1A1YTHDC1CYP2C19SMN1; SMN2
SCHEMBL31179099 0.74 ABL1 (0.35) ALDH1A1ESR1ABL1CYP2C19SMN1; SMN2
SCHEMBL31127814 0.73 RET (0.32) CYP2C19
SCHEMBL29131777 0.72 YTHDC1 (0.36) HPGDALDH1A1ABL1YTHDC1CYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
EP-2214675-B1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH INC (US) 2013-11-20 EP disclosed
US-20130109852-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH, INC. (US) 2013-05-02 US disclosed
US-20130109852-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH, INC. (US) 2013-05-02 US disclosed
US-20130109852-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH, INC. (US) 2013-05-02 US disclosed
US-8431694-B1 Process for making thienopyrimidine compounds GENENTECH, INC. (US) 2013-04-30 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
US-20100292468-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENETECH, INC 2010-11-18 US disclosed
US-20100292468-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENETECH, INC 2010-11-18 US disclosed
US-20100292468-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENETECH, INC 2010-11-18 US disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
EP-2214675-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS Genentech, Inc. (US) 2010-08-11 EP disclosed
WO-2009055730-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH, INC. (US) 2009-04-30 WO disclosed
WO-2009055730-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS GENENTECH, INC. (US) 2009-04-30 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-20100292468-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS PIK3CA, PIK3CD, PIK3CB HPGD 1109/4885ALDH1A1 1766/4885ESR1 3272/4885
US-20130109852-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS PIK3CA, PIK3CD, PIK3CB HPGD 1043/4885ALDH1A1 1780/4885ESR1 3347/4885
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK HPGD 3061/4885ALDH1A1 4174/4885ESR1 843/4885

“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.