SCHEMBL4997698

SCHEMBL4997698

Cc1n[nH]c2nc(NCCO)ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EIF2AK2 P19525 2/20 0.39
MERTK Q12866 3/20 0.38
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
GAS6 Q14393 2/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCNA1 P78396 2/20 0.36

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
SCHEMBL14983698 0.74 GAA (0.50) MAPK1GAAKMT2AMEN1EIF2AK2
SCHEMBL5002370 0.73 GBA1 (0.45) GAAEIF2AK2MERTKFLT3TYRO3
SCHEMBL10323041 0.72 EIF2AK2 (0.40) MAPK1GAAEIF2AK2MERTKFLT3
SCHEMBL15509056 0.71 GAA (0.47) MAPK1GAAKMT2AMEN1EIF2AK2
SCHEMBL12726130 0.71 PDK2 (0.42) MAPK1
SCHEMBL10322218 0.70 EIF2AK2 (0.39) MAPK1GAAEIF2AK2MERTKFLT3
SCHEMBL12185715 0.70 ALDH1A1 (0.37) MERTKTYRO3ALDH1A1PKMCSNK2A1
SCHEMBL14985863 0.69 PDK2 (0.32) GAA
SCHEMBL13393612 0.69 MAPK1 (0.52) MAPK1GAAKMT2AMEN1EIF2AK2
SCHEMBL12185270 0.69 MERTK (0.38) MERTKFLT3TYRO3GAS6AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US claimed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP claimed
US-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors DING QINGJIE 2005-12-15 US claimed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
EP-1758871-A1 PYRAZOLO PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP disclosed
WO-2005121107-A1 PYRAZOLO PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed
US-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors DING QINGJIE 2005-12-15 US 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-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors CDK1, CDK4, CDK2 MAPK1 228/4885GAA 4123/4885KMT2A 849/4885

“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.