SCHEMBL3209273

SCHEMBL3209273

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(CC)c1NC(=O)c1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BRAF P15056 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
VCAM1 P19320 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
SCHEMBL3224790 0.95 LMNA (0.44) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3226875 0.93 LMNA (0.43) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3216282 0.91 LMNA (0.42) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3201501 0.89 LMNA (0.41) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3210249 0.89 MAPT (0.44) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3213825 0.86 LMNA (0.42) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL297406 0.86 MAPT (0.51) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3215108 0.86 MAPT (0.44) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3205415 0.84 MAPT (0.41) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3709143 0.84 MAPT (0.43) LMNAMAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2006-12-28 US claimed
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-8247594-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-21 US disclosed
US-20100130601-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-27 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2114161-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-11 EP disclosed
US-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
WO-2008107091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-09-12 WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 WO disclosed
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2006-12-28 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 (3 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-20100130601-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 LMNA 1069/4885MAPT 4101/4885MEN1 885/4885
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease JAK3, JAK1, JAK2 LMNA 4696/4885MAPT 4206/4885MEN1 2075/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 LMNA 899/4885MAPT 3612/4885MEN1 860/4885

“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.