SCHEMBL21895488

SCHEMBL21895488

Cn1c(=O)[nH]c2ncnc(N)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
PMP22 Q01453 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
APAF1 O14727 1/20 0.44
CASP6 P55212 1/20 0.44
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
PDE2A O00408 3/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
LIMK1 P53667 3/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 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
SCHEMBL30890059 0.80 CDK1 (0.50) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL2063240 0.80 CDK1 (0.50) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL26779059 0.79 CDK1 (0.37) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL25457076 0.77 CDK1 (0.36) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL12615857 0.77 CDK1 (0.48) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL29334076 0.76 CDK1 (0.47) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL26800760 0.74 CDK1 (0.58) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL6577461 0.73 TLR7 (0.52) LMNACYP3A4PMP22ALDH1A1MAPT
SCHEMBL25457796 0.73 CDK1 (0.36) CDK1LMNACYP3A4PMP22ALDH1A1
SCHEMBL3286320 0.71 RXFP1 (0.41) CDK1LMNACYP3A4PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
WO-2023220428-A1 COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 US disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 WO disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 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 (2 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-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CDK1 180/4885LMNA 3364/4885CYP3A4 4049/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN CDK1 113/4885LMNA 3949/4885CYP3A4 2261/4885

“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.