SCHEMBL3026397

SCHEMBL3026397

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1NC(=O)c1ccc(C#N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
LCK P06239 2/20 0.40
PKM P14618 1/20 0.36
S1PR3 Q99500 1/20 0.34
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.32
EZH2 Q15910 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL16502281 0.94 CA1 (0.38) CA1CA2CA9LCKPKM
SCHEMBL11977445 0.88 CA1 (0.46) CA1CA2CA9LCKPKM
SCHEMBL3035762 0.79 LCK (0.44) LCKPKMS1PR3S1PR4MAPT
SCHEMBL289980 0.76 LCK (0.39) LCKPKMS1PR3KMT2AKDM4E
SCHEMBL3011716 0.76 LCK (0.41) LCKPKMS1PR3KDRS1PR4
SCHEMBL3032468 0.74 LCK (0.39) LCKPKMS1PR3KMT2AKDM4E
SCHEMBL16014723 0.73 ESR2 (0.41) CA1CA2CA9KDM4EALDH1A1
SCHEMBL3701195 0.73 LCK (0.39) LCKPKMS1PR3KDRS1PR4
SCHEMBL3652724 0.72 ITGB3 (0.41) LCKPKMS1PR3KMT2AALDH1A1
SCHEMBL30526738 0.71 HPGD (0.42) CA1CA2CA9LCKPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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-20100216850-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 CA1 680/4885CA2 243/4885CA9 865/4885

“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.