SCHEMBL4442985

SCHEMBL4442985

Cc1ccc(C(=O)O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
MEN1 O00255 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL27530349 0.90 ALDH1A1 (0.56) TP53AKR1C3AKR1C2TSHRKMT2A
SCHEMBL6852757 0.83 TP53 (0.64) TP53AKR1C3AKR1C2TDP1KEAP1
SCHEMBL31120368 0.82 TP53 (0.62) TP53AKR1C3AKR1C2TDP1KEAP1
SCHEMBL847769 0.81 TSHR (0.61) AKR1C3AKR1C2TSHRKMT2ATDP1
SCHEMBL7275462 0.81 TP53 (0.80) TP53TSHRTDP1KEAP1NFE2L2
SCHEMBL3765312 0.79 TP53 (0.67) TP53KMT2ATDP1GAAMEN1
SCHEMBL26464789 0.79 GRIK1 (0.55) TP53AKR1C3AKR1C2GRIK1GRIA1
SCHEMBL2744081 0.78 GRIK1 (0.56) TP53TSHRKMT2AGRIK1GRIA1
SCHEMBL6436941 0.78 TP53 (0.54) TP53AKR1C3AKR1C2KMT2ATDP1
SCHEMBL30532372 0.77 AKR1C3 (0.57) AKR1C3AKR1C2TSHRTDP1GAA

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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 TP53 746/4885AKR1C3 2778/4885AKR1C2 2743/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TP53 800/4885AKR1C3 2018/4885AKR1C2 2194/4885

“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.