SCHEMBL3109802

SCHEMBL3109802

CC(C)Nc1nccc(-c2c(-c3ccccc3)nn3c2CCCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.49
MAPK14 Q16539 8/20 0.47
MAPK10 P53779 2/20 0.45
MAPK9 P45984 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE10A Q9Y233 1/20 0.45
MAPK13 O15264 6/20 0.44
MAPK12 P53778 6/20 0.44
MAPK11 Q15759 6/20 0.44
THRB P10828 3/20 0.42
TGFBR1 P36897 2/20 0.42
GSK3B P49841 2/20 0.41
MAPK1 P28482 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL10290862 0.90 ACVR1 (0.48) ACVR1MAPK14MAPK10MAPK9PDE4B
SCHEMBL3107492 0.90 ACVR1 (0.48) ACVR1MAPK14MAPK10MAPK9PDE4B
SCHEMBL3094572 0.90 MAPK14 (0.52) ACVR1MAPK14MAPK9MAPK13MAPK12
SCHEMBL3094899 0.85 ACVR1 (0.58) ACVR1MAPK14MAPK10MAPK9PDE4B
SCHEMBL3110798 0.84 MAPK10 (0.55) ACVR1MAPK14MAPK10MAPK9MAPK13
SCHEMBL3112056 0.81 MAPK14 (0.51) ACVR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL28428298 0.79 ACVR1 (0.45) ACVR1MAPK14THRBTGFBR1
SCHEMBL10290368 0.79 CSNK1D (0.53) ACVR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2523383 0.77 TGFBR1 (0.46) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL10290363 0.76 CSNK1D (0.51) ACVR1MAPK14MAPK10MAPK13MAPK12

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 6 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US 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
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 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 (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 ACVR1 3435/4885MAPK14 3609/4885MAPK10 3931/4885

“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.