SCHEMBL433117

SCHEMBL433117

Fc1cccc(C2=NCCC2)c1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.90
CHRNA3 P32297 12/20 0.90
CHRNA7 P36544 2/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
NISCH Q9Y2I1 1/20 0.49
NOTUM Q6P988 1/20 0.42
PGR P06401 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL18985115 0.86 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
Ethoxycarbonyl Group SCHEMBL27745229 0.82 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL6558703 0.78 CHRNB4 (0.90) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL17398232 0.78 CHRNB4 (0.90) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL2807123 0.78 CHRNB4 (0.90) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL9583820 0.77 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL24414772 0.76 CHRNB4 (0.55) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL165812 0.76 CHRNB4 (0.87) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL27495537 0.74 CHRNB4 (0.65) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL13114824 0.74 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174634-A1 Aldehyde Dehydrogenase Inhibitors and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-30 US disclosed
US-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2024-04-25 US disclosed
EP-4259620-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE Cancer Research Technology Limited (GB) 2023-10-18 EP disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
CN-114836490-A Application of imine reductase in catalytic synthesis of chiral 2-aryl pyrrolidine 上海健康医学院 2022-08-02 CN disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
US-11267818-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2022-03-08 US disclosed
EP-3372605-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-11-03 EP disclosed
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2021-01-07 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
CN-102264736-A Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 2011-11-30 CN disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
EP-2350071-A1 SUBSTITUTED PYRAZOLOÝ1,5-a¨PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-08-03 EP disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (7 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-11267818-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 CHRNB4 1569/4885CHRNA3 467/4885CHRNA7 346/4885
US-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 CHRNB4 1569/4885CHRNA3 467/4885CHRNA7 346/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K CHRNB4 2116/4885CHRNA3 1470/4885CHRNA7 1663/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K CHRNB4 3072/4885CHRNA3 2562/4885CHRNA7 3067/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 CHRNB4 1059/4885CHRNA3 437/4885CHRNA7 337/4885
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 CHRNB4 1569/4885CHRNA3 467/4885CHRNA7 346/4885
US-20240174634-A1 Aldehyde Dehydrogenase Inhibitors and Their Therapeutic Use ALDH2, ALDH1A1, ALDH3A1 CHRNB4 4578/4885CHRNA3 2683/4885CHRNA7 4394/4885

“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.