SCHEMBL14616264

SCHEMBL14616264

CC(C)(C)n1cnc2cnc(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
NUDT1 P36639 6/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
EGFR P00533 1/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL26607564 0.83 KDM4E (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24682199 0.80 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL26622982 0.79 KDM4E (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL26638943 0.76 KDM4E (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL2983374 0.76 DYRK1A (0.46) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL26607533 0.75 KDM4E (0.34) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL27303515 0.73 HDAC6 (0.40) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL28384782 0.73 KDM4E (0.40) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL18310595 0.72 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL3144585 0.72 HDAC6 (0.40) ALDH1A1KDM4EHPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-12-21 US disclosed
US-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination CARNEGIE MELLON UNIVERSITY 2021-07-29 US disclosed
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-20190185509-A1 2'2' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 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 (6 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-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination POLL, PNKP, POLM PI4KA 2047/4885PI4K2B 2079/4885PI4K2A 1926/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 PI4KA 287/4885PI4K2B 383/4885PI4K2A 315/4885
US-20190185509-A1 2'2' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, TBK1 PI4KA 646/4885PI4K2B 390/4885PI4K2A 386/4885
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, CGAS, IRF3 PI4KA 414/4885PI4K2B 306/4885PI4K2A 308/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 PI4KA 440/4885PI4K2B 313/4885PI4K2A 314/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH PI4KA 1930/4885PI4K2B 2372/4885PI4K2A 2532/4885

“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.