SCHEMBL889777

SCHEMBL889777

Cn1ncc2c(=O)[nH]c(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
PNP P00491 6/20 0.51
QTRT1 Q9BXR0 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CYP1A2 P05177 1/20 0.41
DYRK1A Q13627 1/20 0.41
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
XDH P47989 1/20 0.38
PDE2A O00408 1/20 0.38
TK1 P04183 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL21126169 0.82 PNP (0.45) ALDH1A1PNPQTRT1CYP1A2DYRK1A
SCHEMBL7877139 0.81 PNP (0.49) ALDH1A1PNPQTRT1CYP1A2DYRK1A
SCHEMBL889723 0.81 CDK4 (0.55) ALDH1A1CYP1A2PDE2AF7F3
SCHEMBL12185703 0.80 PNP (0.62) ALDH1A1PNP
SCHEMBL24097627 0.79 PNP (0.48) ALDH1A1PNPQTRT1CYP1A2DYRK1A
SCHEMBL8114828 0.79 ALDH1A1 (0.51) ALDH1A1PNPPI4KAPI4K2BPI4K2A
SCHEMBL13593764 0.79 PI4KA (0.42) ALDH1A1PNPPI4KAPI4K2BPI4K2A
SCHEMBL3424725 0.79 ALDH1A1 (0.51) ALDH1A1PDE2AF7F3CDK4
SCHEMBL15745833 0.79 PDE9A (0.54)
SCHEMBL20240237 0.78 ALDH1A1 (0.46) ALDH1A1PNPPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US 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
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
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-20230212572-A1 Guanosine Analogues for Use in Therapeutics Polynucleotides ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2023-07-06 US disclosed
US-20230212572-A1 Guanosine Analogues for Use in Therapeutics Polynucleotides ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2023-07-06 US disclosed
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-19 US disclosed
WO-2021249993-A1 GUANOSINE ANALOGUES FOR USE IN THERAPEUTIC POLYNUCLEOTIDES ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2021-12-16 WO disclosed
EP-3526239-B1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORP (KR) 2021-11-03 EP disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-7517978-B1 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2009-04-14 US disclosed
US-7517978-B1 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2009-04-14 US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7348146-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2008-03-25 US disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 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 (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-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS ALDH1A1 4803/4885PNP 220/4885QTRT1 3599/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 ALDH1A1 4598/4885PNP 3801/4885QTRT1 2426/4885
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, NT5C2 ALDH1A1 3369/4885PNP 9/4885QTRT1 2184/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH ALDH1A1 2110/4885PNP 848/4885QTRT1 1769/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 ALDH1A1 3968/4885PNP 47/4885QTRT1 3753/4885

“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.