SCHEMBL1727262

SCHEMBL1727262

N#Cc1c(Br)cc(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EPAS1 Q99814 5/20 0.35
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
VEGFA P15692 1/20 0.31
HTT P42858 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
SCHEMBL16680760 0.88 TRPV4 (0.46) TRPV4MEN1TTRALBKMT2A
SCHEMBL1869567 0.84 KDM4E (0.39) TRPV4MEN1KMT2AKDM4EHPGD
SCHEMBL29560268 0.83 KDM4E (0.43) MEN1KMT2AKDM4EHPGDGAA
SCHEMBL22866804 0.83 KDM4E (0.43) MEN1KMT2AKDM4EHPGDGAA
SCHEMBL25330793 0.81 TRPV4 (0.32) TRPV4EPAS1CYP11B1CYP11B2VEGFA
SCHEMBL25330482 0.80 SQOR (0.38) MEN1KMT2AKDM4ENPSR1EPAS1
SCHEMBL28365899 0.78 TDP1 (0.41) TRPV4MEN1TTRALBKMT2A
SCHEMBL25329568 0.77 EPAS1 (0.36) EPAS1VEGFA
SCHEMBL28438701 0.76 TTR (0.61) TRPV4MEN1TTRALBKMT2A
SCHEMBL22496629 0.74 TRPV4 (0.41) TRPV4MEN1TTRALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801124-A Thermal activation delayed fluorescent material, organic electroluminescent device and application thereof 北京鼎材科技有限公司 2021-12-17 CN disclosed
CN-113801058-A Thermal activation delayed fluorescent material, organic electroluminescent device and application thereof 北京鼎材科技有限公司 2021-12-17 CN disclosed
CN-113387958-A Compound and application thereof 北京鼎材科技有限公司 2021-09-14 CN disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN TRPV4 3444/4885MEN1 4537/4885TTR 3538/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN TRPV4 2999/4885MEN1 4147/4885TTR 3247/4885

“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.