SCHEMBL6154539

SCHEMBL6154539

Cc1c(N)cnn1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.34
HTR2C P28335 13/20 0.34
HTR2B P41595 7/20 0.34
TSHR P16473 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1D P28221 1/20 0.32
HTR7 P34969 1/20 0.32
HTR4 Q13639 1/20 0.32
TOP2A P11388 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE9A O76083 1/20 0.32
RPS6KB1 P23443 1/20 0.31
GSK3B P49841 1/20 0.31
GRM2 Q14416 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL16651691 0.85 LMNA (0.37) HTR2AHTR2CHTR2BTSHRHTR1A
SCHEMBL16651692 0.85 LMNA (0.37) HTR2AHTR2CHTR2BTSHRHTR1A
SCHEMBL22876845 0.83 TSHR (0.34) HTR2AHTR2CHTR2BTSHRSMN1; SMN2
SCHEMBL5020888 0.82 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL16975480 0.82 PIK3CD (0.34) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL17076826 0.82 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL15652391 0.82 HTR2A (0.34) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL15651559 0.82 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL5398742 0.82 TSHR (0.37) HTR2AHTR2CHTR2BTSHRHTR1A
SCHEMBL6156321 0.79 POLB (0.38) HTR2AHTR2CHTR2BTSHRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 US disclosed
EP-4046688-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-04-09 EP disclosed
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
EP-4046688-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-08-24 EP disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
WO-2021075476-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-04-22 WO disclosed
CN-101066950-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-11-07 CN disclosed
CN-101062918-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-10-31 CN disclosed
CN-101062917-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-10-31 CN disclosed
CN-1732155-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2006-02-08 CN disclosed
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 (5 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 HTR2A 26/4885HTR2C 43/4885HTR2B 42/4885
US-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA HTR2A 4040/4885HTR2C 3508/4885HTR2B 2542/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 HTR2A 26/4885HTR2C 43/4885HTR2B 42/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA HTR2A 4040/4885HTR2C 3508/4885HTR2B 2542/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK HTR2A 3962/4885HTR2C 2972/4885HTR2B 3003/4885

“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.