SCHEMBL3211745

SCHEMBL3211745

CCNc1ccc(N)cc1C(=O)Nc1c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
EPHX2 P34913 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
PLEC Q15149 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3211432 0.85 JAK2 (0.49) JAK2JAK1MAPTP2RX1RXFP1
SCHEMBL3212463 0.83 RORC (0.48) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13455970 0.80 LMNA (0.43) MAPTALDH1A1KDM4EGAATHRB
SCHEMBL3226967 0.79 AR (0.36) MAPTALDH1A1KDM4EGAAMAPK1
SCHEMBL13490738 0.78 CISD2 (0.36) JAK2JAK1EPHX2MAPTALDH1A1
SCHEMBL3209175 0.77 RXFP1 (0.46) JAK2JAK1MAPTMEN1KMT2A
SCHEMBL3211447 0.74 PTGS1 (0.42) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL1843940 0.73 PTGS1 (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3205565 0.73 LMNA (0.36) MAPTALDH1A1KDM4EGAAMAPK1
SCHEMBL11987617 0.72 PTGS1 (0.39) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
WO-2008000438-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-03 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 (2 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-20100048715-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 JAK2 4085/4885JAK1 4559/4885EPHX2 484/4885
US-20130184343-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 JAK2 4089/4885JAK1 4563/4885EPHX2 488/4885

“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.