SCHEMBL1689372

SCHEMBL1689372

Nc1nc(F)nc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.46
HRH4 Q9H3N8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
TTK P33981 2/20 0.36
TRPA1 O75762 2/20 0.36
NUDT1 P36639 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TTBK1 Q5TCY1 2/20 0.34
TTBK2 Q6IQ55 2/20 0.34
JAK2 O60674 2/20 0.33
PRKCI P41743 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 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
SCHEMBL1057965 0.79 HRH4 (0.51) DYRK1AHRH4ADORA2AADORA1IKBKB
Hydrochloric Acid SCHEMBL28275524 0.78 HRH4 (0.50) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL12463243 0.76 ADORA2A (0.42) DYRK1AADORA2AADORA1NUDT1JAK2
SCHEMBL2147990 0.76 PRKCI (0.41) DYRK1AHRH4ADORA2AADORA1TRPA1
SCHEMBL1016847 0.76 DYRK1A (0.46) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL18055932 0.76 DYRK1A (0.46) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL20168171 0.76 DYRK1A (0.46) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL12574791 0.73 DYRK1A (0.43) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL7655789 0.72 DYRK1A (0.42) DYRK1AHRH4ADORA2AADORA1IKBKB
SCHEMBL30914296 0.72 DYRK1A (0.42) DYRK1AHRH4ADORA2AADORA1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3833355-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-16 EP disclosed
CN-112805006-A PRMT5 inhibitor 默沙东公司 2021-05-14 CN disclosed
WO-2020033288-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 WO disclosed
US-20120010164-A1 ANTIVIRAL AGENTS SURNMA VINCENZO (IT) 2012-01-12 US 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 (3 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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 DYRK1A 3894/4885HRH4 201/4885ADORA2A 3835/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 DYRK1A 3894/4885HRH4 201/4885ADORA2A 3835/4885
US-20120010164-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS DYRK1A 4817/4885HRH4 4533/4885ADORA2A 2859/4885

“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.