SCHEMBL2886575

SCHEMBL2886575

c1ccc2c(-c3nnn[nH]3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TTK P33981 2/20 0.56
ALPL P05186 1/20 0.56
HPGD P15428 1/20 0.56
MAPK10 P53779 1/20 0.56
FGFR1 P11362 2/20 0.54
FLT1 P17948 2/20 0.54
LRRK2 Q5S007 2/20 0.49
ITK Q08881 5/20 0.46
AURKA O14965 2/20 0.46
PDPK1 O15530 2/20 0.46
CYP3A4 P08684 1/20 0.46
GRM4 Q14833 1/20 0.45
MAP2K4 P45985 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL27956844 0.88 IDO1 (0.61) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL10692083 0.87 KDM4E (0.59) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL1672674 0.78 IDO1 (0.78) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL4220824 0.77 AXL (0.49) KDM4EGAAALDH1A1HPGDFGFR1
SCHEMBL6588566 0.76 KDM4E (0.58) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL2896639 0.75 ITK (0.49) TTKLRRK2ITKAURKAGRM4
SCHEMBL2885816 0.75 LRRK2 (0.35) IDO1KDM4EFGFR1FLT1LRRK2
SCHEMBL8365109 0.74 MKNK1 (0.60) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL855531 0.72 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL30768403 0.72 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 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 (1 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-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof TNNI3, FABP3, PPIP5K2 IDO1 868/4885KDM4E 3980/4885GAA 2961/4885

“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.