SCHEMBL4183190

SCHEMBL4183190

CC(=O)Nc1cccc(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.71
FYN P06241 3/20 0.61
PIP4K2A P48426 2/20 0.55
PIP4K2B P78356 2/20 0.55
ABL1 P00519 7/20 0.53
OPRM1 P35372 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR2A P28223 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SCN10A Q9Y5Y9 2/20 0.48
SCN2A Q99250 1/20 0.48
CHRNA7 P36544 1/20 0.48

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
SCHEMBL3247970 0.91 BRAF (0.61) BRAFFYNPIP4K2APIP4K2BABL1
SCHEMBL4198997 0.86 BRAF (0.72) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4195750 0.84 BRAF (0.65) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4191864 0.84 BRAF (0.70) BRAFFYNPIP4K2APIP4K2BNPC1
SCHEMBL1122219 0.83 BRAF (1.00) BRAFFYN
SCHEMBL3244240 0.83 BRAF (0.69) BRAFFYNABL1HTR2ACHRNA7
SCHEMBL4190376 0.83 ABL1 (0.50) BRAFFYNABL1OPRM1KCNH2
SCHEMBL4194092 0.82 BRAF (0.65) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4187626 0.80 ABL1 (0.47) BRAFABL1OPRM1KCNH2NPC1
SCHEMBL4194542 0.80 BRAF (0.62) BRAFFYNPIP4K2APIP4K2BNPC1

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 3292/4885PIP4K2A 748/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885PIP4K2A 748/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885PIP4K2A 748/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BRAF 1471/4885FYN 173/4885PIP4K2A 1599/4885

“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.