SCHEMBL4190213

SCHEMBL4190213

COc1cncc(-c2cncc(NCc3cccnc3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.55
CYP3A4 P08684 8/20 0.54
CYP2C19 P33261 8/20 0.54
CYP2C9 P11712 4/20 0.54
CYP1A2 P05177 7/20 0.53
CYP2D6 P10635 7/20 0.53
CLK4 Q9HAZ1 5/20 0.53
HSD17B10 Q99714 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 3/20 0.53
ALOX15 P16050 2/20 0.53
PDE4B Q07343 1/20 0.53
TP53 P04637 1/20 0.53
LTA4H P09960 1/20 0.51
USP2 O75604 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CLK1 P49759 1/20 0.49

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
SCHEMBL4180572 0.85 LTA4H (0.61) BACE1CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL4154773 0.82 FYN (0.55) BACE1CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL4154792 0.81 CYP11B1 (0.50) BACE1CYP3A4CYP2C9CYP1A2PDE4B
SCHEMBL4196517 0.81 DYRK1A (0.54) BACE1CYP3A4CYP2C9CYP1A2CLK4
SCHEMBL2908596 0.79 ALDH1A1 (0.69) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL15918213 0.79 CLK4 (0.80) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL19312422 0.79 LTA4H (0.60) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL4182323 0.79 CLK1 (0.54) BACE1CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL4186887 0.79 WDR5 (0.49) BACE1CYP3A4CYP2C9CYP1A2CLK4
SCHEMBL4187702 0.79 FYN (0.62) BACE1CYP3A4CYP2C9CYP1A2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US 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 BACE1 4532/4885CYP3A4 257/4885CYP2C19 478/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BACE1 4532/4885CYP3A4 257/4885CYP2C19 478/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BACE1 4532/4885CYP3A4 257/4885CYP2C19 478/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BACE1 525/4885CYP3A4 328/4885CYP2C19 181/4885

“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.