SCHEMBL3865778

SCHEMBL3865778

CC(=O)Oc1ccnc2cn[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
ACHE P22303 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
GGT1 P19440 1/20 0.33

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
SCHEMBL20874628 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDHTTPTK2
SCHEMBL27784126 0.74 PLK4 (0.53) KDM4ETDP1CYP3A4PDE5AALDH1A1
SCHEMBL26233949 0.72 TSHR (0.49) KDM4ETDP1CYP3A4ALDH1A1TSHR
SCHEMBL29738256 0.72 TSHR (0.49) KDM4ETDP1CYP3A4ALDH1A1TSHR
SCHEMBL27738200 0.71 KDM4E (0.50) KDM4ETDP1CYP3A4ALOX12ALDH1A1
SCHEMBL23629251 0.70 KDM5A (0.50)
SCHEMBL30511914 0.69 PTPN1 (0.51) PTPN1KDM4ETDP1CYP3A4ALOX12
SCHEMBL23629273 0.69 BTK (0.54) KDM4ETDP1PTK2
SCHEMBL13434056 0.69 PTPN1 (0.51) PTPN1KDM4ETDP1CYP3A4ALOX12
SCHEMBL23629250 0.69 PTPN11 (0.43) CYP3A4GAATGFBR1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125808-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-02 EP disclosed
EP-2042500-A1 N-[4-(1-H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[(hetero)aryl]-urea compounds, pharmaceutical compositions comprising them, their preparation and their use as Tie2-kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. BAYER SCHERING PHARMA AG (DE) 2009-03-05 US disclosed
WO-2008071456-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932845-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. KDR, FLT4, TIE1 PTPN1 362/4885KDM4E 672/4885TDP1 1492/4885

“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.