SCHEMBL1472560

SCHEMBL1472560

COc1cnc(Br)c2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PRKCI P41743 2/20 0.33
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33
RIN1 Q13671 1/20 0.33
CIT O14578 1/20 0.33
AURKA O14965 1/20 0.33
GAK O14976 1/20 0.33
MAP3K7 O43318 1/20 0.33
RIPK2 O43353 1/20 0.33
STK17B O94768 1/20 0.33
PIM1 P11309 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1E P49674 1/20 0.33
MAP3K9 P80192 1/20 0.33
MAP4K2 Q12851 1/20 0.33

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
Hydrochloric Acid SCHEMBL17843977 0.97 BRD4 (0.36) BRD4CHRNB2CHRNA4PRKCIABL1
SCHEMBL10326422 0.81 ABL1 (0.37) BRD4PRKCIABL1RAD52RIN1
SCHEMBL10292445 0.81 PIK3C3 (0.39) BRD4PRKCIABL1RAD52RIN1
SCHEMBL1473221 0.81 BRD4 (0.40) BRD4ABL1RAD52RIN1CFB
Hydrochloric Acid SCHEMBL3558795 0.79 BRD4 (0.39) BRD4ABL1RAD52RIN1CFB
SCHEMBL3570127 0.79 BRD4 (0.36) BRD4ABL1RAD52RIN1JAK1
SCHEMBL1473430 0.79 DYRK1A (0.41) BRD4PRKCIDYRK1ACFB
SCHEMBL1473045 0.77 CFB (0.40) BRD4CFBPRKCQPRKCD
SCHEMBL2211568 0.76 PRKCI (0.42) PRKCIDYRK1ACFB
SCHEMBL31275318 0.76 PRKCI (0.42) PRKCIDYRK1ACFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
CN-114401731-A Compositions and methods for treating human immunodeficiency virus 奇达拉治疗公司 2022-04-26 CN disclosed
EP-3982993-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2022-04-20 EP disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-9908882-B2 Process for preparing halogenated azaindole compounds using boroxine ViiV Healthcare UK (No.4) Limited (GB) 2018-03-06 US disclosed
US-9908882-B2 Process for preparing halogenated azaindole compounds using boroxine ViiV Healthcare UK (No.4) Limited (GB) 2018-03-06 US disclosed
US-20170362262-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP BRISTOL-MYERS SQUIBB COMPANY 2017-12-21 US disclosed
US-20170362262-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP BRISTOL-MYERS SQUIBB COMPANY 2017-12-21 US disclosed
US-20170298064-A1 PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE ViiV Healthcare UK (No.4) Limited (GB) 2017-10-19 US disclosed
US-20170298064-A1 PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE ViiV Healthcare UK (No.4) Limited (GB) 2017-10-19 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 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-20170362262-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP PAXBP1, AZI2, PML BRD4 110/4885CHRNB2 4170/4885CHRNA4 4650/4885
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT BRD4 25/4885CHRNB2 4499/4885CHRNA4 2786/4885
US-20170298064-A1 PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE BRI3BP, AZI2, BRIX1 BRD4 40/4885CHRNB2 1560/4885CHRNA4 1404/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT BRD4 25/4885CHRNB2 4499/4885CHRNA4 2786/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 BRD4 1165/4885CHRNB2 4736/4885CHRNA4 4335/4885
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A BRD4 3294/4885CHRNB2 4559/4885CHRNA4 4040/4885

“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.