SCHEMBL3694590

SCHEMBL3694590

N#CCNC(=O)c1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.74
▸ JAK3 P52333 10/20 0.74
▸ PLK4 O00444 9/20 0.74
▸ JAK1 P23458 4/20 0.74
▸ BMPR1B O00238 1/20 0.74
▸ CIT O14578 1/20 0.74
▸ GAK O14976 1/20 0.74
▸ OPA1 O60313 1/20 0.74
▸ ROCK2 O75116 1/20 0.74
▸ STK16 O75716 1/20 0.74
▸ PRKD3 O94806 1/20 0.74
▸ CSNK2A2 P19784 1/20 0.74
▸ CDK2 P24941 1/20 0.74
▸ MARK3 P27448 1/20 0.74
▸ TYK2 P29597 1/20 0.74
▸ BMPR1A P36894 1/20 0.74
▸ TGFBR1 P36897 1/20 0.74
▸ STAT3 P40763 1/20 0.74
▸ STAT5A P42229 1/20 0.74
▸ MAPK8 P45983 1/20 0.74

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
SCHEMBL13169438 0.90 JAK2 (0.74) JAK2JAK3PLK4JAK1BMPR1B
SCHEMBL13169428 0.86 PLK4 (0.74) PLK4
Momelotinib SCHEMBL22282523 0.85 JAK2 (1.00) JAK2JAK3PLK4JAK1BMPR1B
Momelotinib SCHEMBL29352115 0.85 JAK2 (1.00) JAK2JAK3PLK4JAK1BMPR1B
Momelotinib SCHEMBL2237234 0.85 JAK2 (1.00) JAK2JAK3PLK4JAK1BMPR1B
SCHEMBL13169667 0.85 JAK2 (0.75) JAK2JAK3PLK4JAK1BMPR1B
SCHEMBL13169466 0.84 PLK4 (0.77) PLK4
Momelotinib SCHEMBL2863013 0.84 JAK2 (0.98) JAK2JAK3PLK4JAK1BMPR1B
Momelotinib SCHEMBL17333087 0.84 JAK2 (0.98) JAK2JAK3PLK4JAK1BMPR1B
Momelotinib SCHEMBL29774318 0.84 JAK2 (0.98) JAK2JAK3PLK4JAK1BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114900-B1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2018-10-10 — — EP disclosed
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 — — US disclosed
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 — — US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 — — US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 — — US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 — — US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 — — US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 — — US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 — — US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 — — US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 — — US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 — — US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 — — US disclosed
EP-2114900-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF Cytopia Research Pty Ltd (AU) 2009-11-11 — — EP disclosed
WO-2008092199-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-08-07 — — 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 (3 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-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885PLK4 533/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885PLK4 533/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885PLK4 533/4885

“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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