SCHEMBL183244

SCHEMBL183244

CCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.51
CCNB1 P14635 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
P2RX7 Q99572 2/20 0.51
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
YTHDC1 Q96MU7 7/20 0.44
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL29444616 1.00 CDK1 (0.51) CDK1CCNB1CCNE1CDK2P2RX7
SCHEMBL5158596 0.86 P2RX7 (0.49) CDK1CCNB1CCNE1CDK2P2RX7
SCHEMBL30332411 0.86 P2RX7 (0.49) CDK1CCNB1CCNE1CDK2P2RX7
SCHEMBL23547549 0.84 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL25306748 0.84 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3440998 0.83 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15719927 0.83 CDK1 (0.49) CDK1CCNB1CCNE1CDK2P2RX7
SCHEMBL27854926 0.83 CDK1 (0.71) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL5161283 0.82 HDAC1 (0.49) CDK1CCNE1CDK2P2RX7ADORA2A
SCHEMBL183219 0.81 HDAC1 (0.50) CCNE1CDK2P2RX7YTHDC1HSP90AA1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
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-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR TAIZHOU EOC PHARMA CO., LTD (CN) 2024-10-24 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240247001-A1 2,6,9-TRISUBSTITUTED PURINES ASTRAZENECA AB (SE) 2024-07-25 US disclosed
CN-114149432-B Dual CLK/CDK1 inhibitors for cancer treatment 斯坦福国际研究院 2024-07-05 CN disclosed
WO-2024127350-A1 2,6,9-TRISUBSTITUTED PURINES ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2023016477-A9 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-04-25 WO disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 WO disclosed
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 US disclosed
US-20030100571-A1 Purine inhibitors of phosphodiesterase (PDE) BRISTOL-MYERS SQUIBB COMPANY 2003-05-29 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
WO-2002102314-A2 PURINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 WO disclosed
WO-2002088079-A2 DUAL INHIBITORS OF PDE 7 AND PDE 4 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO disclosed
WO-2002088080-A2 DUAL INHIBITORS OF PDE 7 AND PDE 4 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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 (8 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-20030100571-A1 Purine inhibitors of phosphodiesterase (PDE) PDE7A, PDE7B, PDE3A CDK1 1645/4885CCNB1 2865/4885CCNE1 3143/4885
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 PDE4A, PDE4B, PDE7B CDK1 2181/4885CCNB1 4544/4885CCNE1 4588/4885
US-20240247001-A1 2,6,9-TRISUBSTITUTED PURINES CDK2, CDK1, CCNT2 CDK1 2/4885CCNB1 24/4885CCNE1 23/4885
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR CDK2, CCNK, CDK1 CDK1 3/4885CCNB1 44/4885CCNE1 36/4885
US-12441744-B2 2,6,9-trisubstituted purines CDK2, CDK1, CCNT2 CDK1 2/4885CCNB1 24/4885CCNE1 23/4885
US-20250197425-A1 2,6,9-TRISUBSTITUTED PURINES CDK2, CDK1, CCNT2 CDK1 2/4885CCNB1 24/4885CCNE1 23/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 CDK1 1472/4885CCNB1 2940/4885CCNE1 3733/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE CDK1 1075/4885CCNB1 3873/4885CCNE1 2358/4885

“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.