SCHEMBL688007

SCHEMBL688007

O=Cc1cc2ccccc2nc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 8/20 0.53
GAA P10253 4/20 0.53
HPGD P15428 4/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
POLB P06746 1/20 0.41

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
Methane SCHEMBL5841329 0.79 TDP1 (0.47) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL7891555 0.78 ALDH1A1 (0.54) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL715554 0.78 ALDH1A1 (0.58) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL30081463 0.78 ALDH1A1 (0.58) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL11109074 0.77 ALDH1A1 (0.53) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL372264 0.77 ALDH1A1 (0.62) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL6340621 0.77 ALDH1A1 (0.53) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL807146 0.77 TLR8 (0.55) ALDH1A1GAAHPGDMAPTGLA
SCHEMBL372183 0.77 ALDH1A1 (0.53) TDP1ALDH1A1GAAHPGDMAPT
SCHEMBL29953988 0.77 ALDH1A1 (0.53) TDP1ALDH1A1GAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
CN-104650054-A Antitubercular quinolylthienylaryloxyethylamine derivative CHONGQING PHARM RES INST CO 2015-05-27 CN disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
WO-2012145617-A9 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2014-02-20 WO disclosed
WO-2012145617-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2012-10-26 WO disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
EP-1871782-B1 DIPHOSPHINES AND METAL COMPLEXES UMICORE AG & CO KG (DE) 2012-02-29 EP disclosed
US-7863447-B2 Diphosphines and metal complexes UMICORE AG & CO., KG (DE) 2011-01-04 US disclosed
US-20090270622-A1 Diphosphines and Metal Complexes UMICORE AG & CO., KG (DE) 2009-10-29 US disclosed
EP-1871782-A2 DIPHOSPHINES AND METAL COMPLEXES Umicore AG & Co. KG (DE) 2008-01-02 EP disclosed
WO-2006111535-A2 DIPHOSPHINES AND METAL COMPLEXES UMICORE AG & CO. KG (DE) 2006-10-26 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 (2 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-20090270622-A1 Diphosphines and Metal Complexes C9, AP3S1, C5 TDP1 3700/4885ALDH1A1 4243/4885GAA 4864/4885
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 TDP1 1037/4885ALDH1A1 3305/4885GAA 1098/4885

“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.