SCHEMBL1689336

SCHEMBL1689336

NC(=O)c1[nH]nc2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 2/20 0.42
PDPK1 O15530 1/20 0.38
RPS6KB1 P23443 7/20 0.35
AKT1 P31749 5/20 0.35
GDA Q9Y2T3 1/20 0.34
DYRK1A Q13627 3/20 0.33
DYRK1B Q9Y463 3/20 0.33
CLK2 P49760 2/20 0.33
CLK3 P49761 1/20 0.33
CDK9 P50750 2/20 0.32
CCNT1 O60563 1/20 0.32
NTRK1 P04629 1/20 0.32
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
CHEK1 O14757 1/20 0.31

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
SCHEMBL16516909 0.84 HCAR2 (0.36) CCNA2CDK2RPS6KB1AKT1DYRK1A
SCHEMBL1689037 0.79 CYP1A2 (0.36) CCNA2CDK2DYRK1ADYRK1BCLK2
SCHEMBL5616254 0.75 GABRG2 (0.38) NTRK1
SCHEMBL5084936 0.72 CCNA2 (0.39) CCNA2CDK2CCNA1PDPK1RPS6KB1
SCHEMBL1384474 0.72 GSK3A (0.48) CCNA2CDK2CCNA1DYRK1ACLK2
SCHEMBL1559614 0.72 CCNA2 (0.52) CCNA2CDK2CCNA1PDPK1RPS6KB1
SCHEMBL21806796 0.72 DYRK1A (0.38) CCNA2CDK2DYRK1ADYRK1BCLK2
SCHEMBL8328800 0.72 DYRK1A (0.52) CCNA2CDK2DYRK1ADYRK1BCLK2
SCHEMBL1689095 0.71 HTT (0.38) CCNA2CDK2DYRK1ACLK2CLK3
SCHEMBL8319708 0.71 DYRK1B (0.40) DYRK1ADYRK1BCLK2CDK9CHEK1

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 17 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
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 CCNA2 384/4885CDK2 26/4885CCNA1 267/4885

“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.