SCHEMBL4180919

SCHEMBL4180919

B(On1cnc2ccccc21)On1cnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
TNF P01375 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FGFR1 P11362 2/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
STAT6 P42226 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1293053 0.81 TDP1 (0.52) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL24054627 0.78 HTT (0.47) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL3968932 0.78 TDP1 (0.48) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL491202 0.78 HTT (0.50) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL160156 0.74 TDP1 (0.46) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL9529264 0.74 TDP1 (0.46) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL8901472 0.73 EGLN3 (0.46) TDP1HTTSMN1; SMN2FGFR1KMT2A
SCHEMBL9446056 0.73 TDP1 (0.48) TDP1POLBHTTSMN1; SMN2LMNA
SCHEMBL6392854 0.73 EGLN3 (0.46) TDP1HTTSMN1; SMN2FGFR1KMT2A
SCHEMBL8003415 0.73 TDP1 (0.44) TDP1POLBHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
CN-109837082-B Electroluminescent material and preparation method and application thereof 东莞伏安光电科技有限公司 2022-07-26 CN disclosed
EP-3601254-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-05-25 EP disclosed
US-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity JANSSEN PHARMACEUTICA NV (BE) 2022-03-08 US disclosed
EP-3359533-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-17 EP disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
CN-109311843-B Azabenzimidazole derivatives as PI3K beta inhibitors 詹森药业有限公司 2021-10-08 CN disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-09-28 US disclosed
CN-112898254-A Heterocyclic spiro compounds 默克专利有限公司 2021-06-04 CN disclosed
US-20130157977-A1 Benzimidazole Boronic Acid Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-06-20 US disclosed
US-20130157977-A1 Benzimidazole Boronic Acid Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-06-20 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
EP-1812451-A2 COMPOUNDS AND METHODS OF USE THEREOF Nuada, LLC (US) 2007-08-01 EP disclosed
EP-1812451-A2 COMPOUNDS AND METHODS OF USE THEREOF Nuada, LLC (US) 2007-08-01 EP disclosed
WO-2006050053-A3 COMPOUNDS AND METHODS OF USE THEREOF NUADA LLC (US) 2006-07-06 WO disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO disclosed
WO-2004113351-A2 BIFUNCTIONAL AMINO-BORON LEWIS ACID - LEWIS BASE CATALYST UNIVERSITY OF DURHAM (GB) 2004-12-29 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 (6 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A TDP1 2801/4885POLB 3493/4885HTT 3529/4885
US-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity PIK3CD, PIK3CA, PIK3CB TDP1 2343/4885POLB 1652/4885HTT 3676/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 TDP1 416/4885POLB 454/4885HTT 4102/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 TDP1 478/4885POLB 272/4885HTT 3636/4885
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors PIK3CA, PIK3CD, PIK3CB TDP1 2248/4885POLB 887/4885HTT 3378/4885
US-20130157977-A1 Benzimidazole Boronic Acid Derivatives As PI3 Kinase Inhibitors PI4KB, PI4KA, PIK3CB TDP1 1299/4885POLB 2275/4885HTT 1498/4885

“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.