SCHEMBL15422006

SCHEMBL15422006

NC(=O)c1c([N+](=O)[O-])cnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
JAK2 O60674 10/20 0.40
JAK1 P23458 9/20 0.40
JAK3 P52333 8/20 0.40
TYK2 P29597 3/20 0.40
NUDT1 P36639 1/20 0.40
PRKCI P41743 1/20 0.39
RIPK1 Q13546 1/20 0.38
TTBK1 Q5TCY1 2/20 0.38
TTBK2 Q6IQ55 2/20 0.38
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCNT1 O60563 1/20 0.36
CCND1 P24385 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL22941677 0.79 JAK2 (0.43) IKBKBCHUKJAK2JAK1JAK3
SCHEMBL19292158 0.77 IKBKB (0.46) IKBKBCHUKJAK2JAK1JAK3
SCHEMBL17495401 0.76 PRKCI (0.46) JAK2JAK1JAK3TYK2NUDT1
SCHEMBL1935167 0.76 PRKCI (0.54) JAK2JAK1JAK3TYK2PRKCI
SCHEMBL29486783 0.76 PRKCI (0.54) JAK2JAK1JAK3TYK2PRKCI
SCHEMBL30213789 0.76 PRKCI (0.46) JAK2JAK1JAK3TYK2NUDT1
SCHEMBL19292236 0.76 JAK1 (0.47) JAK2JAK1JAK3TYK2NUDT1
SCHEMBL8560474 0.74 POLB (0.46) MAPK1ALDH1A1
SCHEMBL15422239 0.72 JAK2 (0.41) JAK2JAK1JAK3TYK2PRKCI
SCHEMBL14795009 0.72 JAK2 (0.43) JAK2JAK1JAK3TYK2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
WO-2012127506-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-27 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-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF MALT1, JAK1, ICOS IKBKB 100/4885CHUK 54/4885JAK2 5/4885

“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.