SCHEMBL15422239

SCHEMBL15422239

N#Cc1c([N+](=O)[O-])cnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.41
JAK3 P52333 8/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 4/20 0.41
ALDH1A1 P00352 1/20 0.38
PIN1 Q13526 1/20 0.36
AXL P30530 1/20 0.36
PRKCI P41743 1/20 0.36
TTBK1 Q5TCY1 2/20 0.36
TTBK2 Q6IQ55 2/20 0.36
RIPK1 Q13546 1/20 0.35
RAB9A P51151 1/20 0.35
CTSB P07858 2/20 0.33
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
DHODH Q02127 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
SCHEMBL30213789 0.77 PRKCI (0.46) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL17495401 0.77 PRKCI (0.46) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL22941677 0.77 JAK2 (0.43) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL29486783 0.77 PRKCI (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL1935167 0.77 PRKCI (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL31431566 0.74 ALDH1A1 (0.41) ALDH1A1RAB9ACTSB
SCHEMBL17963822 0.73 JAK2 (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL14795009 0.73 JAK2 (0.43) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL12563092 0.73 NUDT1 (0.44) JAK2JAK3JAK1AXLPRKCI
SCHEMBL12563109 0.73 PRKCI (0.49) JAK2JAK3JAK1TYK2ALDH1A1

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 11 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 claimed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US claimed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US claimed
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 JAK2 5/4885JAK3 6/4885JAK1 2/4885

“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.