SCHEMBL4191746

SCHEMBL4191746

CC(=O)Nc1cccc(-c2cncc(Nc3cccc(Cl)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.68
FYN P06241 3/20 0.65
XDH P47989 2/20 0.63
SLC22A12 Q96S37 2/20 0.63
PIP4K2A P48426 2/20 0.61
PIP4K2B P78356 2/20 0.61
KDR P35968 3/20 0.51
DYRK3 O43781 1/20 0.51
CCNT1 O60563 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
DYRK1A Q13627 1/20 0.51
CDK5R1 Q15078 1/20 0.51
DYRK2 Q92630 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CNR1 P21554 2/20 0.49
CNR2 P34972 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
SCHEMBL4194092 0.90 BRAF (0.65) BRAFFYNXDHSLC22A12PIP4K2A
SCHEMBL4185535 0.87 XDH (0.61) BRAFFYNXDHSLC22A12PIP4K2A
SCHEMBL4191864 0.87 BRAF (0.70) BRAFFYNXDHSLC22A12PIP4K2A
SCHEMBL4187619 0.83 BRAF (0.62) BRAFFYNXDHSLC22A12PIP4K2A
SCHEMBL4194542 0.83 BRAF (0.62) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4195750 0.82 BRAF (0.65) BRAFFYNXDHSLC22A12PIP4K2A
SCHEMBL4191929 0.81 XDH (0.61) BRAFFYNXDHSLC22A12KDR
SCHEMBL4187527 0.81 SMN1; SMN2 (0.66) BRAFFYNPIP4K2APIP4K2BCNR1
SCHEMBL1121940 0.81 BRAF (1.00) BRAFKDR
SCHEMBL4198997 0.81 BRAF (0.72) BRAFFYNXDHSLC22A12PIP4K2A

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 BRAF 3225/4885FYN 3292/4885XDH 1630/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885XDH 1630/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885XDH 1630/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BRAF 1471/4885FYN 173/4885XDH 527/4885

“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.