Bromide

Bromide

SCHEMBL944909

Br.Br.NCCn1ccnc1

nearest known ligand 0.60

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 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.60
EGLN3 Q9H6Z9 1/20 0.50
CYP19A1 P11511 1/20 0.44
PRKCI P41743 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FDPS P14324 1/20 0.43

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 SCHEMBL4304875 1.00
SCHEMBL311448 0.98
Hydrochloric Acid SCHEMBL10425368 0.95
SCHEMBL17238725 0.95
Hydrochloric Acid SCHEMBL2183500 0.95 TBXAS1 (0.60) TBXAS1EGLN3CYP19A1PRKCIALDH1A1
Bromide SCHEMBL28608395 0.86 TBXAS1 (0.68) TBXAS1EGLN3CYP19A1PRKCI
Bromide SCHEMBL18941395 0.85 TBXAS1 (0.72) TBXAS1PRKCI
SCHEMBL9253280 0.84 TBXAS1 (0.71) TBXAS1EGLN3CYP19A1PRKCI
SCHEMBL78110 0.84
Hydrochloric Acid SCHEMBL4781930 0.82 TBXAS1 (0.68) TBXAS1CYP19A1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003214-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2021-12-21 CN disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US disclosed
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 US disclosed
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-09-20 US disclosed
EP-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 EP disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 US disclosed
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 US disclosed
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 US disclosed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 US disclosed
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 EP disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 WO disclosed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US disclosed
EP-1791845-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2007-06-06 EP disclosed
WO-2006130160-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2006-12-07 WO disclosed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 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 (8 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 TBXAS1 377/4885EGLN3 4381/4885CYP19A1 644/4885
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK TBXAS1 530/4885EGLN3 3506/4885CYP19A1 3062/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK TBXAS1 530/4885EGLN3 3506/4885CYP19A1 3062/4885
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK TBXAS1 530/4885EGLN3 3506/4885CYP19A1 3062/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K TBXAS1 510/4885EGLN3 3457/4885CYP19A1 2914/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK TBXAS1 530/4885EGLN3 3506/4885CYP19A1 3062/4885
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK TBXAS1 530/4885EGLN3 3506/4885CYP19A1 3062/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK TBXAS1 568/4885EGLN3 3543/4885CYP19A1 3346/4885

“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.