SCHEMBL8080504

SCHEMBL8080504

COc1cc(B(O)O)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.47
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL31416614 0.84 ALDH1A1 (0.52) ENPP2CA2CA1MAPTTSHR
SCHEMBL23114 0.81 ENPP2 (0.52) ENPP2CA2CA1TSHRTUBB4A
SCHEMBL25173988 0.79 ENPP2 (0.54) ENPP2CA2CA1TUBB4ATUBB
SCHEMBL23051 0.78 ENPP2 (0.48) ENPP2CA2CA1MAPTTUBB4A
SCHEMBL29956693 0.78 MAOB (0.57) ENPP2CA2CA1TSHRALDH1A1
SCHEMBL11322 0.78 MAOB (0.57) ENPP2CA2CA1TSHRALDH1A1
SCHEMBL1018126 0.76 ENPP2 (0.49) ENPP2CA2CA1MAPTTSHR
SCHEMBL22471 0.76 ENPP2 (0.47) ENPP2CA2CA1TUBB4ATUBB
SCHEMBL723787 0.76 ALDH1A1 (0.55) ENPP2CA2CA1TSHRTUBB4A
SCHEMBL29427068 0.76 ENPP2 (0.49) ENPP2CA2CA1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
US-9505772-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-29 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
US-20150111894-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-23 US disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
EP-2848622-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 EP disclosed
US-8951993-B2 Phosphorus containing compounds as protein kinase inhibitors JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2015-02-10 US disclosed
US-8574546-B2 Substituted aryl-fluoroborates as imaging agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-11-05 US disclosed
US-8574546-B2 Substituted aryl-fluoroborates as imaging agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-11-05 US disclosed
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 US disclosed
WO-2012116050-A2 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 WO disclosed
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-10-07 US disclosed
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-10-07 US disclosed
WO-2009012596-A1 SUBSTITUTED ARYL-FLUOROBORATES AS IMAGING AGENTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-01-29 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 (4 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-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS PPM1A, PPM1G, PPM1B ENPP2 312/4885CA2 380/4885CA1 1574/4885
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ENPP2 631/4885CA2 2991/4885CA1 4595/4885
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents SIGMAR1, AP3S1, SLC1A5 ENPP2 2529/4885CA2 2794/4885CA1 2857/4885
US-20150111894-A1 AROMATIC RING COMPOUND MC1R, MC4R, TYR ENPP2 1761/4885CA2 2429/4885CA1 4803/4885

“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.