SCHEMBL3033451

SCHEMBL3033451

CC(=O)c1c(-c2cccc(F)c2)nn(C(C)C)c(=O)c1Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 5/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.41
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ CSNK1D P48730 2/20 0.38
▸ PKMYT1 Q99640 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36

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
SCHEMBL1652372 0.90 BRD4 (0.40) CSNK1ETAAR1PDE4BCSNK1DNLRP3
SCHEMBL4708887 0.86 PDE4B (0.39) CSNK1EPDE4BCSNK1DLMNA
SCHEMBL4707163 0.85 PDE4B (0.48) PDE4BLMNACDK5POLB
SCHEMBL3033404 0.85 PDE4B (0.56) CSNK1ETAAR1JAK1TYK2JAK3
SCHEMBL4708502 0.84 KCNK3 (0.41) CSNK1EPDE4BCSNK1DADORA2APOLB
SCHEMBL4706663 0.84 CSNK1E (0.41) CSNK1EPDE4BCSNK1DKDM4EPOLB
SCHEMBL4707884 0.83 PDE4B (0.45) CSNK1EPDE4BCSNK1DADORA3ADORA2A
SCHEMBL4706564 0.82 RAB9A (0.39) CSNK1EPDE4BCSNK1DADORA3ADORA2A
SCHEMBL3029569 0.81 BRD4 (0.44) CSNK1ETAAR1PDE4B
SCHEMBL4706113 0.80 PDE4B (0.38) CSNK1EPDE4BCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 — — US claimed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 — — US claimed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 — — US claimed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 — — EP claimed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 — — US claimed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 — — US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 — — US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 — — US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 — — EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 — — US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 — — EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 — — 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B CSNK1E 1329/4885TAAR1 592/4885JAK1 1765/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B CSNK1E 1485/4885TAAR1 703/4885JAK1 1826/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B CSNK1E 1329/4885TAAR1 592/4885JAK1 1765/4885

“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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