SCHEMBL29930637

SCHEMBL29930637

O=C1Cc2nc(Cl)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.46
CMA1 P23946 2/20 0.42
PDK2 Q15119 1/20 0.38
PGR P06401 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KMT2A Q03164 1/20 0.36
PLCG1 P19174 1/20 0.34
BCL6 P41182 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
EIF2AK2 P19525 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL658555 1.00 AHR (0.46) AHRCMA1PDK2PGRPDE3B
SCHEMBL25211244 0.83 NPC1 (0.40) AHRPDE3BPDE3AKMT2ANPC1
SCHEMBL29363831 0.83 NPC1 (0.40) AHRPDE3BPDE3AKMT2ANPC1
SCHEMBL21874251 0.81 AHR (0.38) AHRCMA1PDK2PGRPDE3B
SCHEMBL18529927 0.78 TDP2 (0.45)
SCHEMBL15806897 0.77 CYP2C19 (0.42) AHRCMA1PDK2PDE3BPDE3A
SCHEMBL24192469 0.77 AHR (0.38) AHRCMA1PDK2PGRPDE3B
SCHEMBL477772 0.77 AHR (0.42) AHRCMA1PDK2PDE3BPDE3A
SCHEMBL21964248 0.73 AHR (0.35) AHRCMA1PDK2PDE3BPDE3A
SCHEMBL24191810 0.73 DDB1 (0.36) AHRCMA1PDK2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 US disclosed
WO-2025076632-A1 COMPOUNDS AND USES THEREOF FIBROCOR THERAPEUTICS INC. (CA) 2025-04-17 WO disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 CN disclosed
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
CN-116444493-A Derivative containing double parallel rings, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 CN disclosed
CN-110461828-B IP6K inhibitors 武田药品工业株式会社 2022-07-19 CN 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 (1 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG AHR 68/4885CMA1 910/4885PDK2 681/4885

“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.