SCHEMBL3077855

SCHEMBL3077855

NNC(=O)c1cnn2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 8/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
EIF4A3 P38919 1/20 0.42
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
TYK2 P29597 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLF5 Q13887 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL26979770 0.85 EPHB3 (0.46) EPHB3ALDH1A1SMN1; SMN2EIF4A3KDM4E
SCHEMBL23685723 0.85 EPHB3 (0.44) EPHB3ALDH1A1SMN1; SMN2EIF4A3KDM4E
SCHEMBL17067855 0.83 TGFBR1 (0.49) EPHB3EIF4A3PIK3CDPIK3CAPIK3CB
SCHEMBL31030385 0.83 EIF4A3 (0.47) EPHB3EIF4A3KDM4ENPC1RAB9A
SCHEMBL13139980 0.82 EPHB3 (0.62) EPHB3ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL31642318 0.82 EPHB3 (0.44) EPHB3ALDH1A1SMN1; SMN2EIF4A3KDM4E
SCHEMBL3089211 0.81 EIF4A3 (0.45) EPHB3EIF4A3KDM4ENPC1RAB9A
SCHEMBL25158137 0.81 KDM4E (0.43) EPHB3ALDH1A1SMN1; SMN2EIF4A3KDM4E
SCHEMBL3073510 0.81 EIF4A3 (0.43) EPHB3EIF4A3KDM4ENPC1RAB9A
SCHEMBL3077903 0.80 NPC1 (0.47) EPHB3ALDH1A1SMN1; SMN2EIF4A3KDM4E

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-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP claimed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO claimed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO 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-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD EPHB3 2757/4885ALDH1A1 588/4885SMN1; SMN2 3214/4885

“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.