SCHEMBL633855

SCHEMBL633855

O=Cc1cc(F)cc2cc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
ERN1 O75460 1/20 0.41
BACE1 P56817 1/20 0.39
CYP2A6 P11509 2/20 0.39
TNF P01375 1/20 0.36
RIPK1 Q13546 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
IKBKB O14920 4/20 0.35
CHUK O15111 4/20 0.35
KEAP1 Q14145 1/20 0.34
PDPK1 O15530 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL21936881 0.81 AHR (0.42) AHRBACE1TNFRIPK1GPR84
SCHEMBL30993119 0.79 CYP2A6 (0.41) AHRERN1BACE1CYP2A6IKBKB
SCHEMBL2264767 0.79 ERN1 (0.44) ERN1BACE1CYP2A6HRH4
SCHEMBL4886068 0.79 ERN1 (0.44) AHRERN1BACE1CYP2A6TNF
SCHEMBL1137882 0.79 TDO2 (0.51) AHRBACE1IKBKBCHUKKEAP1
SCHEMBL2428320 0.79 CYP2A6 (0.35) BACE1CYP2A6ESR1
SCHEMBL1137879 0.79 TDO2 (0.51) AHRBACE1IKBKBCHUKKEAP1
SCHEMBL4889356 0.78 BACE1 (0.48) AHRBACE1IKBKBCHUKKEAP1
SCHEMBL4889358 0.78 BACE1 (0.48) AHRBACE1IKBKBCHUKKEAP1
SCHEMBL4218398 0.78 BACE1 (0.48) AHRBACE1IKBKBCHUKPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-23 US disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 US disclosed
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
WO-2009006043-A2 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2,5-DIHYDRO-4-IMIDAZO [1,2-A]PYRINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO-2-(1-PIPERIDINYL-CARBONYD-PYRROLO[3,2,1-JK][1,4]BENZODIAZEPINE ELI LILLY AND COMPANY (US) 2009-01-08 WO disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
CN-1312154-C Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2007-04-25 CN disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
CN-1639165-A Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 EP disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 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 (10 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 AHR 388/4885ERN1 3672/4885BACE1 1368/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 AHR 3047/4885ERN1 4099/4885BACE1 3895/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C AHR 523/4885ERN1 2655/4885BACE1 2098/4885
US-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 AHR 3474/4885ERN1 205/4885BACE1 3313/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 AHR 3710/4885ERN1 2371/4885BACE1 3408/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C AHR 1267/4885ERN1 3333/4885BACE1 1780/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 AHR 202/4885ERN1 4627/4885BACE1 566/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 AHR 2478/4885ERN1 3624/4885BACE1 3386/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX AHR 2084/4885ERN1 4108/4885BACE1 4097/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 AHR 3047/4885ERN1 4099/4885BACE1 3895/4885

“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.