SCHEMBL4200912

SCHEMBL4200912

NC(c1cccnc1)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
MIF P14174 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CYP17A1 P05093 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
MAPT P10636 1/20 0.43
KCNA5 P22460 2/20 0.41
CYP19A1 P11511 2/20 0.41
LMNA P02545 2/20 0.40
KYNU Q16719 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK1 Q13464 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL2494591 0.83 CFTR (0.58) CYP17A1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL10561123 0.82 CYP17A1 (0.60) CYP17A1SMN1; SMN2CFTRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3751857 0.81 CFTR (0.56) CYP17A1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL6200843 0.79 CFTR (0.43) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6733043 0.79 CFTR (0.43) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL27595708 0.79 CYP17A1 (0.42) CYP17A1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL5075468 0.77 CFTR (0.63) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL14166013 0.77 ADRB1 (0.55) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15768316 0.77 ADRB1 (0.55) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL7117300 0.77 SMN1; SMN2 (0.46) CYP17A1SMN1; SMN2CFTRSLC6A2SLC6A4

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 ADRB1 1476/4885MIF 3986/4885HTR2A 3376/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADRB1 1476/4885MIF 3986/4885HTR2A 3376/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADRB1 1476/4885MIF 3986/4885HTR2A 3376/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ADRB1 267/4885MIF 3264/4885HTR2A 995/4885

“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.