SCHEMBL4185535

SCHEMBL4185535

CC(=O)Nc1cccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.61
SLC22A12 Q96S37 4/20 0.61
BRAF P15056 6/20 0.59
PIP4K2A P48426 2/20 0.59
PIP4K2B P78356 2/20 0.59
FYN P06241 2/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
TDP2 O95551 1/20 0.56
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
EGFR P00533 1/20 0.51
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4194092 0.87 BRAF (0.65) XDHSLC22A12BRAFPIP4K2APIP4K2B
SCHEMBL4191746 0.87 BRAF (0.68) XDHSLC22A12BRAFPIP4K2APIP4K2B
SCHEMBL4195750 0.85 BRAF (0.65) XDHSLC22A12BRAFPIP4K2APIP4K2B
SCHEMBL1122334 0.83 BRAF (0.79) BRAF
SCHEMBL4194098 0.82 XDH (0.64) XDHSLC22A12FYNMEN1KMT2A
SCHEMBL4191642 0.82 XDH (0.61) XDHSLC22A12MEN1KMT2AMAPT
SCHEMBL4195767 0.82 PIP4K2A (0.56) XDHSLC22A12PIP4K2APIP4K2BFYN
SCHEMBL4191864 0.82 BRAF (0.70) XDHSLC22A12BRAFPIP4K2APIP4K2B
SCHEMBL4196452 0.81 BRAF (0.59) BRAFPIP4K2APIP4K2BFYNMAPT
SCHEMBL4187619 0.81 BRAF (0.62) XDHSLC22A12BRAFPIP4K2APIP4K2B

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 XDH 1630/4885SLC22A12 3973/4885BRAF 3225/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885BRAF 3225/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885BRAF 3225/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885BRAF 1471/4885

“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.