SCHEMBL4917652

SCHEMBL4917652

COc1ccc(-n2ncc3c(Nc4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)ncnc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
KDM4E B2RXH2 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 1/20 0.62
LMNA P02545 2/20 0.61
TP53 P04637 2/20 0.61
THRB P10828 1/20 0.61
PIP4K2A P48426 1/20 0.53
PIK3CG P48736 1/20 0.53
PIP4K2C Q8TBX8 1/20 0.53
KDR P35968 1/20 0.53
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
XBP1 P17861 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4755211 0.97 MAPT (0.62) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4917379 0.94 MAPT (0.62) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4789574 0.90 MAPK14 (0.63) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4699408 0.90 MAPT (0.53) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4187241 0.89 MAPK14 (0.57) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4919350 0.88 MAPT (0.54) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4697666 0.88 PIP4K2A (0.53) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4754428 0.85 RXFP1 (0.47) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4699789 0.81 LMNA (0.59) MAPTLMNATP53THRBKDR
SCHEMBL4701650 0.80 MAPK14 (0.59) MAPTLMNATP53THRBKDR

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 1 patent. 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 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 MAPT 2142/4885KDM4E 1400/4885MEN1 4382/4885

“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.