SCHEMBL129642

SCHEMBL129642

Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.68
CCNB1 P14635 3/20 0.61
CCNE1 P24864 3/20 0.61
CDK2 P24941 3/20 0.61
ADORA2A P29274 2/20 0.58
ADORA1 P30542 1/20 0.58
YTHDC1 Q96MU7 1/20 0.42
AHCY P23526 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PIK3CA P42336 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL10148680 0.82 CDK1 (0.57) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4402870 0.82 CDK1 (0.66) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL764036 0.81 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL14131868 0.81 CDK1 (0.64) CDK1CCNB1CCNE1CDK2ADORA2A
9-Methylguanine SCHEMBL2787045 0.81 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL17226007 0.81 CDK1 (0.55) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL129921 0.81 CDK1 (1.00) CDK1ADORA2AADORA1YTHDC1
SCHEMBL129640 0.81 CDK1 (0.64) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL130527 0.81 CDK1 (0.64) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL28782077 0.79 CDK1 (0.66) CDK1CCNB1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
CN-112209980-B substituted purine nucleotides 阿堤亚制药公司 2023-12-05 CN disclosed
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
EP-3728283-B1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070026397-A1 Method for producing second-generation library NUEVOLUTION A/S (DK) 2007-02-01 US disclosed
US-20070026429-A1 BINARY PROBE AND CLAMP COMPOSITION AND METHODS FOR TARGET HYBRIDIZATION DETECTION APPLERA CORPORATION (US) 2007-02-01 US disclosed
US-20070026429-A1 BINARY PROBE AND CLAMP COMPOSITION AND METHODS FOR TARGET HYBRIDIZATION DETECTION APPLERA CORPORATION (US) 2007-02-01 US disclosed
EP-0502690-B1 Cyclopropane derivative AJINOMOTO KK (JP) 1999-12-01 EP disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CDK1 4739/4885CCNB1 4816/4885CCNE1 4880/4885
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG CDK1 141/4885CCNB1 343/4885CCNE1 175/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG CDK1 142/4885CCNB1 367/4885CCNE1 179/4885
US-20070026429-A1 BINARY PROBE AND CLAMP COMPOSITION AND METHODS FOR TARGET HYBRIDIZATION DETECTION RNGTT, ADAR, FEN1 CDK1 3427/4885CCNB1 2950/4885CCNE1 3306/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT CDK1 3079/4885CCNB1 3030/4885CCNE1 2283/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CDK1 86/4885CCNB1 526/4885CCNE1 533/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 CDK1 3236/4885CCNB1 4456/4885CCNE1 4393/4885

“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.