SCHEMBL3110779

SCHEMBL3110779

CC(CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2COCC3)n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.66
MAPK14 Q16539 9/20 0.56
ACVR1 Q04771 8/20 0.49
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43

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
SCHEMBL3108242 0.90 CSNK1D (0.71) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL3112056 0.86 MAPK14 (0.51) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL10290480 0.85 CSNK1D (0.75) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL10290479 0.84 CSNK1D (0.71) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL3096765 0.84 MAPK14 (0.50) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3091618 0.81 CSNK1D (0.93) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL3094899 0.81 ACVR1 (0.58) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL10290481 0.79 CSNK1D (0.90) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL10290484 0.79 CSNK1D (0.66) CSNK1DMAPK14ACVR1MAPK13MAPK12
SCHEMBL3095762 0.77 MAPK14 (0.44) CSNK1DMAPK14MAPK13MAPK12MAPK11

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
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP claimed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US claimed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US claimed
EP-2217600-A2 FUNGICIDAL BICYCLIC PYRAZOLES E. I. du Pont de Nemours and Company (US) 2010-08-18 EP claimed
WO-2009076440-A2 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-18 WO claimed
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
EP-2409570-A2 Fungicidal mixtures based on pyrazolopyridine compounds BASF SE (DE) 2012-01-25 EP disclosed
CN-101889012-A Fungicidal bicyclic pyrazoles DU PONT 2010-11-17 CN disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
EP-2217600-A2 FUNGICIDAL BICYCLIC PYRAZOLES E. I. du Pont de Nemours and Company (US) 2010-08-18 EP disclosed
WO-2009076440-A2 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-18 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 (1 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 CSNK1D 1670/4885MAPK14 3609/4885ACVR1 3435/4885

“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.