SCHEMBL4378141

SCHEMBL4378141

Cn1cnc2c(Cl)nc(F)nc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.50
YTHDC1 Q96MU7 3/20 0.47
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CCNB1 P14635 1/20 0.37
CCNE2 O96020 1/20 0.35

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
SCHEMBL30173097 1.00 CDK1 (0.50) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL183035 0.81 CDK1 (0.68) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL29426225 0.81 CDK1 (0.68) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL7289687 0.79 CDK1 (0.51) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL23027205 0.78 CDK1 (0.42) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL130527 0.78 CDK1 (0.64) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL764036 0.78 CDK1 (0.59) CDK1YTHDC1ADORA2AADORA1CCNE1
SCHEMBL380974 0.78 CDK1 (0.50) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL8510719 0.77 PDE4A (0.63) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL1293109 0.77 CDK2 (0.49) CDK1ADORA2AADORA1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634186-A1 2,6,9-TRISUBSTITUTED PURINES Astrazeneca AB (SE) 2025-10-22 EP disclosed
US-12441744-B2 2,6,9-trisubstituted purines ASTRAZENECA AB 2025-10-14 US disclosed
US-20250197425-A1 2,6,9-TRISUBSTITUTED PURINES ASTRAZENECA AB (SE) 2025-06-19 US disclosed
US-20240247001-A1 2,6,9-TRISUBSTITUTED PURINES ASTRAZENECA AB (SE) 2024-07-25 US disclosed
WO-2024127350-A1 2,6,9-TRISUBSTITUTED PURINES ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
EP-2265626-B1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE LCB PHARMA INC (CA) 2019-05-15 EP disclosed
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX UNITED STATES DEPARTMENT OF ENERGY 2018-09-13 US disclosed
US-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO disclosed
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 US disclosed
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 US disclosed
US-20020103161-A1 Novel heterocycles ARIAD PHARMACEUTICALS, INC. 2002-08-01 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 (7 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-20240247001-A1 2,6,9-TRISUBSTITUTED PURINES CDK2, CDK1, CCNT2 CDK1 2/4885YTHDC1 2627/4885PDE4A 1029/4885
US-12441744-B2 2,6,9-trisubstituted purines CDK2, CDK1, CCNT2 CDK1 2/4885YTHDC1 2627/4885PDE4A 1029/4885
US-20020103161-A1 Novel heterocycles BMP2, SOST, BMP4 CDK1 93/4885YTHDC1 3944/4885PDE4A 303/4885
US-20250197425-A1 2,6,9-TRISUBSTITUTED PURINES CDK2, CDK1, CCNT2 CDK1 2/4885YTHDC1 2627/4885PDE4A 1029/4885
US-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 CDK1 2522/4885YTHDC1 4749/4885PDE4A 2450/4885
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA CDK1 2348/4885YTHDC1 478/4885PDE4A 1850/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 CDK1 2522/4885YTHDC1 4749/4885PDE4A 2450/4885

“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.