SCHEMBL1689338

SCHEMBL1689338

NC(=O)c1n[nH]c2ncncc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.39
AKT1 P31749 8/20 0.39
DYRK1A Q13627 3/20 0.33
WNT1 P04628 2/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL29761098 1.00 RPS6KB1 (0.39) RPS6KB1AKT1DYRK1AWNT1CLK2
SCHEMBL30002581 0.86 HCAR2 (0.36) RPS6KB1AKT1DYRK1AWNT1TSHR
SCHEMBL16516910 0.86 HCAR2 (0.36) RPS6KB1AKT1DYRK1AWNT1TSHR
SCHEMBL38656719 0.83 HDAC6 (0.37) RPS6KB1AKT1DYRK1AWNT1CLK2
SCHEMBL1689038 0.80 CYP1A2 (0.39) TSHRJAK1KDM4E
SCHEMBL30200851 0.77 KDM4E (0.52) KDM4E
SCHEMBL5616257 0.77 ALDH1A1 (0.43) DYRK1AKDM4E
SCHEMBL15109789 0.76 PDPK1 (0.31) KDM4E
SCHEMBL15942802 0.75 IKBKB (0.43) JAK2JAK1TYK2JAK3
SCHEMBL31398027 0.75 DYRK1B (0.42) DYRK1ACLK2JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3236943-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY PRINCIPIA BIOPHARMA INC. (US) 2017-11-01 EP claimed
EP-3143021-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES Pfizer Inc (US) 2017-03-22 EP claimed
WO-2016105582-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY NUNN PHILIP A (US) 2016-06-30 WO claimed
WO-2015173683-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2015-11-19 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
US-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2025-01-30 US disclosed
CN-108137607-B Compounds and compositions suitable for treating NTRK-related disorders 缆图药品公司 2021-04-06 CN disclosed
EP-3341374-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK Blueprint Medicines Corporation (US) 2018-07-04 EP disclosed
EP-3236943-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY PRINCIPIA BIOPHARMA INC. (US) 2017-11-01 EP disclosed
EP-3233103-A1 TREATMENT OF PEMPHIGUS PRINCIPIA BIOPHARMA, INC. (US) 2017-10-25 EP disclosed
EP-3143021-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES Pfizer Inc (US) 2017-03-22 EP disclosed
WO-2017035354-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION (US) 2017-03-02 WO disclosed
WO-2016105582-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY NUNN PHILIP A (US) 2016-06-30 WO disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2016100914-A1 TREATMENT OF PEMPHIGUS GOURLAY STEVEN (US) 2016-06-23 WO disclosed
WO-2015173683-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2015-11-19 WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 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 (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-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE AURKB, CDK9, AURKA RPS6KB1 78/4885AKT1 178/4885DYRK1A 203/4885

“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.