SCHEMBL4789574

SCHEMBL4789574

COc1ccc(-n2ncc3c(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ncnc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.63
BRAF P15056 6/20 0.60
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59
POLB P06746 1/20 0.58
LCK P06239 2/20 0.58
LYN P07948 2/20 0.58
FRK P42685 2/20 0.58
PRKCD Q05655 2/20 0.58
MAP3K20 Q9NYL2 2/20 0.58
DYRK3 O43781 1/20 0.58
CSF1R P07333 1/20 0.58
KIT P10721 1/20 0.58
SRPK1 Q96SB4 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL4187241 0.94 MAPK14 (0.57) MAPK14BRAFMAPTLMNATP53
SCHEMBL4699408 0.92 MAPT (0.53) MAPK14BRAFMAPTLMNATP53
SCHEMBL4917652 0.90 MAPT (0.62) MAPK14MAPTLMNATP53THRB
SCHEMBL4755211 0.89 MAPT (0.62) MAPK14MAPTLMNATP53THRB
SCHEMBL4751395 0.88 BRAF (0.62) MAPK14BRAFLCKLYNFRK
SCHEMBL4919350 0.86 MAPT (0.54) MAPK14MAPTLMNATP53THRB
SCHEMBL4698194 0.86 BRAF (0.61) MAPK14BRAFMAPTLCKLYN
SCHEMBL4697089 0.86 MAPK14 (0.58) MAPK14BRAFLMNATP53LCK
SCHEMBL4697959 0.86 MAPK14 (0.56) MAPK14BRAFMAPTLMNATP53
SCHEMBL4697666 0.86 PIP4K2A (0.53) MAPK14BRAFMAPTLMNATP53

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 MAPK14 252/4885BRAF 42/4885MAPT 2142/4885

“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.