SCHEMBL3107458

SCHEMBL3107458

CSc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCOC3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
CSNK1D P48730 4/20 0.45
JAK3 P52333 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CSNK1E P49674 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 3/20 0.38
TGFBR1 P36897 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3104990 0.83 THRB (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3109621 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3100615 0.82 CSNK1D (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3102415 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5799690 0.70 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL21621304 0.70 L3MBTL1 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2525132 0.70 HTR3A (0.37) MAPK14CSNK1DCSNK1EL3MBTL1THRB
SCHEMBL7982783 0.70 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL10290857 0.69 THRB (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL10290484 0.69 CSNK1D (0.66) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK14 3609/4885MAPK13 3354/4885MAPK12 4166/4885

“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.