SCHEMBL2885548

SCHEMBL2885548

Cn1ccc2c(N)ccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
NOTUM Q6P988 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NR4A2 P43354 3/20 0.35
SOS2 Q07890 1/20 0.35
MAP4K1 Q92918 1/20 0.34
PIK3CB P42338 1/20 0.34
DYRK1A Q13627 1/20 0.33
NUDT1 P36639 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
DHFR P00374 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4B Q07343 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL256209 0.78 CCR1 (0.45) CAMKK1CAMKK2NOTUMDYRK1AABL1
SCHEMBL30292976 0.78 CCR1 (0.45) CAMKK1CAMKK2NOTUMDYRK1AABL1
SCHEMBL23619423 0.78 NCF1 (0.41) NCF1NR4A2SOS2NUDT1CYP17A1
SCHEMBL13482934 0.77 NCF1 (0.37) NCF1NR4A2SOS2PIK3CBNUDT1
SCHEMBL12146924 0.76 NCF1 (0.39) NCF1NR4A2SOS2NUDT1CYP17A1
SCHEMBL13713238 0.76 CAMKK1 (0.36) CAMKK1CAMKK2NOTUMHRH4DYRK1A
SCHEMBL10222527 0.76 F2RL1 (0.38) CAMKK1CAMKK2NOTUMDYRK1AABL1
SCHEMBL21855983 0.76 CAMKK1 (0.36) CAMKK1CAMKK2NOTUMHRH4DYRK1A
SCHEMBL20674217 0.76 NOTUM (0.40) CAMKK1CAMKK2NOTUMHRH4MAP4K1
SCHEMBL6951047 0.76 MGAM (0.38) CAMKK1CAMKK2NOTUMHRH4DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 CN disclosed
US-20240327412-A1 FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-10-03 US disclosed
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7704925-B2 Ligational encoding using building block oligonucleotides NUEVOLUTION A/S (DK) 2010-04-27 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20090011957-A1 Ligational encoding using building block oligonucleotides NUEVOLUTION A/S (DK) 2009-01-08 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 WO disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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 (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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 NCF1 521/4885CAMKK1 2303/4885CAMKK2 2942/4885
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 NCF1 563/4885CAMKK1 2306/4885CAMKK2 2939/4885
US-20240327412-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 NCF1 556/4885CAMKK1 4109/4885CAMKK2 4291/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NCF1 447/4885CAMKK1 2097/4885CAMKK2 2652/4885
US-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 NCF1 1658/4885CAMKK1 2706/4885CAMKK2 2775/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NCF1 1874/4885CAMKK1 721/4885CAMKK2 523/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH NCF1 883/4885CAMKK1 3941/4885CAMKK2 4133/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 NCF1 414/4885CAMKK1 2072/4885CAMKK2 2649/4885

“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.