SCHEMBL8801

SCHEMBL8801

Nc1ncnc2[nH]nc(I)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.42
PIK3CA P42336 12/20 0.42
PIK3CB P42338 12/20 0.42
PIK3CG P48736 12/20 0.42
PRKDC P78527 12/20 0.42
ABL1 P00519 2/20 0.40
SRC P12931 2/20 0.40
RET P07949 1/20 0.39
PI4KA P42356 1/20 0.39
XDH P47989 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
SGK1 O00141 1/20 0.37
MEN1 O00255 1/20 0.37
DYRK3 O43781 1/20 0.37
EIF4E P06730 1/20 0.37
EIF2AK2 P19525 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL16931741 0.82 PDPK1 (0.30)
SCHEMBL4565125 0.78 CHEK1 (0.32)
SCHEMBL311873 0.78 CHEK1 (0.52) ABL1SRCEGFRPRKCA
SCHEMBL20375264 0.78 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Ribose (Furanose) SCHEMBL5576202 0.78 ADK (0.52) PI4KAPI4K2BPI4K2API4KBMEN1
Ribose (Furanose) SCHEMBL4077632 0.78 ADK (0.52) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL14647390 0.77 RET (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL887854 0.75 ABL1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL868785 0.75 RET (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16431858 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 1955 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968861-B Compound with PI3K delta/BTK double-target-point activity and preparation method and application thereof 杭州医学院 2022-10-21 CN claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP claimed
CN-113968861-A Compound with PI3K delta/BTK double-target-point activity and preparation method and application thereof 杭州医学院 2022-01-25 CN claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 WO claimed
CN-108295073-B Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2020-06-16 CN claimed
CN-109134472-B Synthesis process of 3- (4-phenoxyphenyl) -1H-pyrazolo [3,4-d ] pyrimidine-4-amine 浙江理工大学 2020-02-11 CN claimed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US claimed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 US claimed
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP claimed
US-20110027780-A1 AMPLIFICATION METHODS ELITECHGROUP MDX LLC 2011-02-03 US claimed
US-7759126-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for amplification (or PCR) analysis ELITECH HOLDING B.V. (NL) 2010-07-20 US claimed
US-7723038-B2 Amplification methods ELITECH HOLDING B.V. (NL) 2010-05-25 US claimed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US claimed
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2008-11-27 US claimed
US-20080248474-A1 AMPLIFICATION METHODS EPOCH BIOSCIENCES, INC (US) 2008-10-09 US claimed
US-7381818-B2 Fluorescent probes containing 5′-minor groove binder, fluorophore and quenching moieties and methods of use thereof EPOCH BIOSCIENCES, INC. (US) 2008-06-03 US claimed
US-7205105-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2007-04-17 US claimed
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background EPOCH BIOSCIENCES, INC (US) 2005-09-29 US claimed
US-20030175728-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2003-09-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND SSBP1, DDB1, DNA2 PIK3CD 4646/4885PIK3CA 4403/4885PIK3CB 3883/4885
US-20030175728-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis RNGTT, DCLRE1B, CNBP PIK3CD 4285/4885PIK3CA 3942/4885PIK3CB 2889/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN PIK3CD 70/4885PIK3CA 56/4885PIK3CB 50/4885
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background SSBP1, DDB1, DNA2 PIK3CD 4646/4885PIK3CA 4403/4885PIK3CB 3883/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN PIK3CD 70/4885PIK3CA 56/4885PIK3CB 50/4885

“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.