SCHEMBL4196602

SCHEMBL4196602

COc1cc(Nc2cncc(-c3cccc(O)c3)c2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.71
FYN P06241 4/20 0.71
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
BMPR1A P36894 1/20 0.54
TGFBR1 P36897 1/20 0.54
ACVRL1 P37023 1/20 0.54

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
SCHEMBL21234478 0.84 FYN (0.64) BRAFFYNTUBB4ATUBBTUBA3C
SCHEMBL30521861 0.83 BRAF (1.00) BRAFFYN
SCHEMBL1122650 0.83 BRAF (1.00) BRAFFYN
SCHEMBL4184883 0.82 BRAF (0.71) BRAFFYNPRKD3PRKCGPRKCB
SCHEMBL4143146 0.82 XDH (0.62) BRAFFYNTUBB4ATUBBTUBA3C
SCHEMBL4187496 0.81 FYN (0.69) BRAFFYNTGFBR1ACVR1PRKD3
SCHEMBL4190101 0.81 BRAF (0.72) BRAFFYNPRKD3PRKCGPRKCB
SCHEMBL1122245 0.80 BRAF (1.00) BRAF
SCHEMBL21311940 0.80 FYN (0.53) BRAFFYN
SCHEMBL4191499 0.79 BRAF (0.59) BRAFFYNTGFBR1PRKD3PRKCG

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 3292/4885TUBB4A 982/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885TUBB4A 982/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885FYN 3292/4885TUBB4A 982/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BRAF 1471/4885FYN 173/4885TUBB4A 244/4885

“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.