SCHEMBL4187401

SCHEMBL4187401

c1cncc(CNc2cncc(-c3ccc(N4CCOCC4)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CLK1 P49759 3/20 0.58
DYRK1A Q13627 3/20 0.58
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
NTRK1 P04629 1/20 0.51
NAMPT P43490 2/20 0.50
RAD52 P43351 1/20 0.50
PIK3CA P42336 2/20 0.49
PLK4 O00444 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL4194528 0.85 STAT6 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4180572 0.79 LTA4H (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15722454 0.76 MAPT (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14242652 0.74 SYK (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4199106 0.74 JAK2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4187374 0.72 FYN (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4201069 0.72 CYP3A4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4190213 0.72 BACE1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4187397 0.71 MAPK10 (0.45) CYP1A2CLK1DYRK1ATP53SMN1; SMN2
SCHEMBL19496441 0.71 SYK (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA CYP1A2 775/4885CYP3A4 328/4885CYP2D6 842/4885

“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.