SCHEMBL1227005

SCHEMBL1227005

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)Nc3ccccc3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
CCR1 P32246 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 4/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CRACR2A Q9BSW2 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL1229148 0.90 GAA (0.48) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1227053 0.90 GAA (0.44) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1228685 0.87 GAA (0.42) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1228580 0.86 GAA (0.44) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1227001 0.86 GAA (0.42) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1228467 0.85 CCR1 (0.40) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9105865 0.84 POLB (0.45) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1228543 0.84 CCR1 (0.48) GAAPOLBTSHRCCR1ALDH1A1
SCHEMBL1229035 0.83 GAA (0.41) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14880101 0.83 GAA (0.38) GAACYP1A2CYP3A4CYP2D6CYP2C9

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
US-8557821-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION, LLC (US) 2013-10-15 US disclosed
CN-102596943-A Microbiocidal heterocycles SYNGENTA PARTICIPATIONS AG 2012-07-18 CN disclosed
EP-2464643-A1 MICROBIOCIDAL HETEROCYCLES Syngenta Participations AG (CH) 2012-06-20 EP disclosed
US-20120142700-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
WO-2011018401-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 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-20120142700-A1 MICROBIOCIDAL HETEROCYCLES MPO, CYP51A1, CYP1A1 GAA 560/4885CYP1A2 14/4885CYP3A4 40/4885

“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.