SCHEMBL12820951

SCHEMBL12820951

Cc1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.46
▸ TYMS P04818 9/20 0.45

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
SCHEMBL18520454 0.80 DYRK1A (0.47) DYRK1ATYMS
SCHEMBL21161374 0.79 TYMS (0.49) TYMS
SCHEMBL12884842 0.79 TYMS (0.46) DYRK1ATYMS
SCHEMBL15061831 0.79 TYMS (0.48) DYRK1ATYMS
SCHEMBL7011689 0.79 ATAD2 (0.38) TYMS
SCHEMBL24704369 0.79 DYRK1A (0.46) DYRK1ATYMS
SCHEMBL3391755 0.78 DYRK1A (0.42) DYRK1ATYMS
SCHEMBL3793648 0.78 DYRK1A (0.42) DYRK1ATYMS
SCHEMBL166747 0.76 TYMS (0.49) TYMS
SCHEMBL14453489 0.76 TYMS (0.47) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 — — EP disclosed
WO-2022083686-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2022-04-28 — — WO disclosed
EP-3936514-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2022-01-12 — — EP disclosed
US-20200323992-A1 MULTI-ARM POLYMERIC PRODRUG CONJUGATES OF PEMETREXED-BASED COMPOUNDS NEKTAR THERAPEUTICS (US) 2020-10-15 — — US disclosed
EP-3484892-B1 1,2,4-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE DERIVATIVES GALENICA S A (GR) 2020-08-26 — — EP disclosed
US-20190194228-A1 NEW 1,2,4-TRIAZOLO-[3,4-b]-1,3,4-THIADIAZOLE DERIVATIVES ENERGONBIO TECHNOLOGIES S.A. (GR) 2019-06-27 — — US disclosed
US-10167287-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-01 — — US disclosed
WO-2018011414-A1 NEW 1,2,4-TRIAZOLO-[3,4-b]-1,3,4-THIADIAZOLE DERIVATIVES GALENICA S.A. (GR) 2018-01-18 — — WO disclosed
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-14 — — US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 — — US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 — — US disclosed
WO-2011035009-A1 HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-03-24 — — 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 (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-10167287-B2 Substituted pyrimidine compounds and methods of use and manufacture DHFR, FOLR1, DPYD DYRK1A 1384/4885TYMS 4/4885
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DHFR, FOLR1, DPYD DYRK1A 1384/4885TYMS 4/4885
US-20200323992-A1 MULTI-ARM POLYMERIC PRODRUG CONJUGATES OF PEMETREXED-BASED COMPOUNDS PAICS, MTHFD2, MTHFD1 DYRK1A 1390/4885TYMS 14/4885
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 DYRK1A 4681/4885TYMS 43/4885
US-20190194228-A1 NEW 1,2,4-TRIAZOLO-[3,4-b]-1,3,4-THIADIAZOLE DERIVATIVES CYP4B1, CYP3A4, CYP1B1 DYRK1A 2805/4885TYMS 69/4885

“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.

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