Bromide

Bromide

SCHEMBL64823

Br.Nc1nc(N)c2nccnc2n1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.39
ADORA2A P29274 1/20 0.95
DHFR P00374 3/20 0.49
PIK3CG P48736 8/20 0.42
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CTSG P08311 1/20 0.39
CYP3A4 P08684 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
Bromide SCHEMBL29767030 1.00 ADORA2A (0.95) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL29941435 0.98 ADORA2A (1.00) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL478917 0.98 ADORA2A (1.00) ADORA2ADHFRPIK3CGPDPK1GDA
Hydrochloric Acid SCHEMBL6448601 0.95 ADORA2A (0.95) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL30432637 0.81 ADORA2A (0.70) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL9014935 0.79 ADORA2A (0.66) ADORA2ADHFRPIK3CGPIK3CAPIK3CB
SCHEMBL9581658 0.76 ADORA2A (0.63) ADORA2ADHFRPIK3CGPIK3CAPIK3CB
SCHEMBL13186957 0.76 ADORA2A (0.63) ADORA2ADHFR
SCHEMBL22055303 0.76 ADORA2A (0.63) ADORA2ADHFRKDM4EALDH1A1LMNA
SCHEMBL12261736 0.76 ADORA2A (0.63) ADORA2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine MIDATECH LTD (GB) 2022-08-04 US disclosed
EP-3893938-A1 ANTIFOLATE-CARRYING NANOPARTICLES AND THEIR USE IN MEDICINE Midatech Ltd (GB) 2021-10-20 EP disclosed
CN-113423433-A Nanoparticles carrying antifolates and their use in medicine MIDA科技有限公司 2021-09-21 CN disclosed
WO-2020120785-A1 ANTIFOLATE-CARRYING NANOPARTICLES AND THEIR USE IN MEDICINE MIDATECH LTD (GB) 2020-06-18 WO disclosed
US-9867828-B2 Aminopterin dosage forms AMINOPTERIN LLC (US) 2018-01-16 US disclosed
EP-1855682-B1 AMINOPTERIN DOSAGE FORMS FOR INFLAMMATORY DISORDERS AMINOPTERIN LLC (US) 2017-11-01 EP disclosed
US-20170128452-A1 Aminopterin Dosage Forms AMINOPTERIN LLC (US) 2017-05-11 US disclosed
EP-1778237-B1 Use of Aminopterin for treating acute lymphoblastic leukemia AMINOPTERIN LLC (US) 2015-08-19 EP disclosed
US-20120128703-A1 Aminopterin Dosage Forms and Methods for Inflammatory Disorders KAMEN BARTON A (US) 2012-05-24 US disclosed
US-8129383-B2 Administering tablets containing less than 0.5 mg; uninterrupted dosage cycles; antiinflammatory agent; nontoxic; side effect reduction; antiarthritic agents; psoriasis, multiple, sclerosis, Crohn's disease, Lupus, Graft versus host disease AMINOPTERIN LLC (US) 2012-03-06 US disclosed
US-20080096893-A1 AMINOPTERIN DOSAGE FORMS SYNTRIX BIOSYSTEMS, INC. (US) 2008-04-24 US disclosed
US-7312217-B2 Aminopterin dosage forms and methods for inflammatory disorders SYNTRIX BIOSYSTEMS, INC. (US) 2007-12-25 US disclosed
EP-1855682-A2 AMINOPTERIN DOSAGE FORMS AND METHODS FOR INFLAMMATORY DISORDERS Syntrix Biosystems, Inc. (US) 2007-11-21 EP disclosed
EP-1778237-A1 USE OF AMINOPTERIN FOR TREATING CANCER AND INFLAMMATORY DISORDERS Syntrix Biosystems, Inc. (US) 2007-05-02 EP disclosed
WO-2006098979-A2 AMINOPTERIN DOSAGE FORMS AND METHODS FOR INFLAMMATORY DISORDERS SYNTRIX BIOSYSTEMS, INC. (US) 2006-09-21 WO disclosed
US-20060205729-A1 Aminopterin dosage forms and methods for inflammatory disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-14 US disclosed
WO-2005089767-A1 USE OF AMINOPTERIN FOR TREATING CANCER AND INFLAMMATORY DISORDERS KAMEN BARTON ARON (US) 2005-09-29 WO disclosed
US-20050209239-A1 Compositions and methods employing aminopterin AMINOPTERIN LLC 2005-09-22 US disclosed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US disclosed
US-4077957-A INTERMEDIATE FOR METHOTREXATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-07 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 (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-20170128452-A1 Aminopterin Dosage Forms AADAT, TPMT, ANPEP SLC6A2 60/4885ADORA2A 212/4885DHFR 795/4885
US-20120128703-A1 Aminopterin Dosage Forms and Methods for Inflammatory Disorders AADAT, TPMT, RNPEP SLC6A2 59/4885ADORA2A 407/4885DHFR 419/4885
US-20060205729-A1 Aminopterin dosage forms and methods for inflammatory disorders AADAT, ANPEP, TPMT SLC6A2 109/4885ADORA2A 275/4885DHFR 793/4885
US-20080096893-A1 AMINOPTERIN DOSAGE FORMS AADAT, TPMT, ANPEP SLC6A2 60/4885ADORA2A 212/4885DHFR 795/4885
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine FOLR1, FOLR2, SLC19A1 SLC6A2 1641/4885ADORA2A 1546/4885DHFR 4/4885
US-20050209239-A1 Compositions and methods employing aminopterin SLC7A1, AADAT, SLC19A1 SLC6A2 328/4885ADORA2A 964/4885DHFR 13/4885

“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.