SCHEMBL4192415

SCHEMBL4192415

c1ccc(Nc2cncc(-c3ccccc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.59
SLC22A12 Q96S37 6/20 0.59
FDPS P14324 1/20 0.53
CNR1 P21554 1/20 0.50
HSD17B10 Q99714 2/20 0.48
DHODH Q02127 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AR P10275 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2B P41595 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21915556 0.96 FDPS (0.56) XDHSLC22A12FDPSCNR1DHODH
SCHEMBL4187260 0.88 XDH (0.63) XDHSLC22A12FDPSCNR1DHODH
SCHEMBL4194358 0.85 XDH (0.60) XDHSLC22A12FDPSMAPTTSHR
SCHEMBL2841435 0.85 MEN1 (0.56) XDHSLC22A12FDPSALDH1A1MEN1
SCHEMBL4199333 0.81 XDH (0.53) XDHSLC22A12FDPSFYNBRAF
SCHEMBL4152376 0.81 XDH (0.53) XDHSLC22A12PTGS2PIP4K2APIP4K2B
SCHEMBL4155149 0.80 CYP2A6 (0.56) XDHSLC22A12CNR1MKNK2
SCHEMBL24336502 0.80 FDPS (0.53) XDHSLC22A12FDPSCNR1DHODH
SCHEMBL27676679 0.80 FDPS (0.53) XDHSLC22A12FDPSCNR1DHODH
SCHEMBL4196597 0.80 CYP1A2 (0.60) XDHSLC22A12HSD17B10ALDH1A1MEN1

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 3973/4885FDPS 3448/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885FDPS 3448/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885FDPS 3448/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885FDPS 1418/4885

“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.