SCHEMBL4199106

SCHEMBL4199106

CS(=O)(=O)c1ccc(-c2cncc(NCc3cccnc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
PTK2 Q05397 1/20 0.53
NAMPT P43490 3/20 0.52
GHSR Q92847 1/20 0.49
VNN1 O95497 1/20 0.49
PTGS2 P35354 3/20 0.49
ALDH1A1 P00352 2/20 0.48
LTA4H P09960 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4189109 0.84 FYN (0.52) GHSRPTGS2PTGS1
SCHEMBL4180572 0.82 LTA4H (0.61) ALDH1A1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL2854358 0.79 VNN1 (0.63) NAMPTVNN1ALDH1A1LTA4HCYP1A2
SCHEMBL4190213 0.77 BACE1 (0.55) ALDH1A1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL22191151 0.75 BCL6 (0.48) ALDH1A1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL18876343 0.74 PTGS2 (0.76) PTGS2ALDH1A1CYP1A2CYP3A4PTGS1
SCHEMBL4201069 0.74 CYP3A4 (0.54) ALDH1A1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL4187374 0.74 FYN (0.67) ALDH1A1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL4187401 0.74 CYP1A2 (0.60) NAMPTALDH1A1LTA4HCYP1A2CYP3A4
SCHEMBL5787875 0.73 PTGS2 (0.78) PTGS2ALDH1A1CYP1A2CYP3A4CYP2D6

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
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 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 (4 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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 JAK2 1554/4885PTK2 902/4885NAMPT 338/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 JAK2 1554/4885PTK2 902/4885NAMPT 338/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 JAK2 1554/4885PTK2 902/4885NAMPT 338/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA JAK2 1631/4885PTK2 1200/4885NAMPT 101/4885

“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.