SCHEMBL4194427

SCHEMBL4194427

CC(=O)Nc1cccc(-c2cncc(NCc3ccc(Cl)cc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.56
CYP17A1 P05093 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PIP4K2A P48426 1/20 0.52
PIP4K2B P78356 1/20 0.52
FYN P06241 2/20 0.52
CNR1 P21554 3/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4185440 0.87 BRAF (0.60) BRAFCYP17A1CYP11B1CYP11B2PIP4K2A
SCHEMBL4182251 0.84 BRAF (0.57) BRAFCYP17A1CYP11B1CYP11B2PIP4K2A
SCHEMBL4193228 0.84 FYN (0.59) BRAFCYP17A1CYP11B1CYP11B2PIP4K2A
SCHEMBL4194092 0.83 BRAF (0.65) BRAFPIP4K2APIP4K2BFYNCNR1
SCHEMBL4199417 0.83 BRAF (0.61) BRAFCYP17A1CYP11B1CYP11B2PIP4K2A
SCHEMBL4191781 0.82 BRAF (0.71) BRAFCYP17A1CYP11B1CYP11B2PIP4K2A
SCHEMBL4194129 0.82 FYN (0.67) CYP17A1CYP11B1CYP11B2FYNCNR1
SCHEMBL4191577 0.82 CYP1A2 (0.53) CYP11B1CYP11B2PIP4K2APIP4K2BFYN
SCHEMBL4153724 0.82 MAP4K4 (0.49) CYP11B2FYNCNR1CNR2
SCHEMBL4187618 0.81 BRAF (0.73) BRAFFYNNPC1

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 3225/4885CYP17A1 468/4885CYP11B1 64/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885CYP17A1 468/4885CYP11B1 64/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885CYP17A1 468/4885CYP11B1 64/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BRAF 1471/4885CYP17A1 1120/4885CYP11B1 348/4885

“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.