SCHEMBL4697666

SCHEMBL4697666

COc1ccc(-n2ncc3c(Nc4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)ncnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.53
PIK3CG P48736 1/20 0.53
PIP4K2C Q8TBX8 1/20 0.53
NTRK1 P04629 1/20 0.52
MAPT P10636 7/20 0.51
GAA P10253 2/20 0.51
KDR P35968 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
MAPK14 Q16539 4/20 0.49
EGFR P00533 2/20 0.49
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL4699408 0.94 MAPT (0.53) PIP4K2APIK3CGPIP4K2CNTRK1MAPT
SCHEMBL4187241 0.92 MAPK14 (0.57) MAPTGAAKDRKDM4EMEN1
SCHEMBL4755211 0.90 MAPT (0.62) PIP4K2APIK3CGPIP4K2CMAPTGAA
SCHEMBL4919350 0.89 MAPT (0.54) PIP4K2APIK3CGPIP4K2CMAPTGAA
SCHEMBL4917652 0.88 MAPT (0.62) PIP4K2APIK3CGPIP4K2CMAPTGAA
SCHEMBL4789574 0.86 MAPK14 (0.63) PIP4K2APIP4K2CNTRK1MAPTGAA
SCHEMBL4917379 0.85 MAPT (0.62) PIP4K2APIK3CGPIP4K2CMAPTGAA
SCHEMBL4701650 0.84 MAPK14 (0.59) MAPTKDRLMNAMAPK14TP53
SCHEMBL4751792 0.83 MAPK14 (0.58) MAPTKDRLMNAMAPK14TP53
SCHEMBL4699789 0.83 LMNA (0.59) MAPTKDRLMNAMAPK14TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US claimed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP claimed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO claimed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 PIP4K2A 103/4885PIK3CG 154/4885PIP4K2C 78/4885

“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.