SCHEMBL3348485

SCHEMBL3348485

O=[N+]([O-])c1cc(Nc2ncc(Br)c(N3CCOCC3)n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 3/20 0.49
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
RAC1 P63000 1/20 0.47
SYK P43405 1/20 0.47
IGF1R P08069 3/20 0.46
MEN1 O00255 3/20 0.46
PIK3CD O00329 1/20 0.45
AKT1 P31749 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL3447770 0.86 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL3344180 0.83 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMAPK1SYK
SCHEMBL13311407 0.80 RAC1 (0.44) SMN1; SMN2NPC1RAB9AMAPK1MAPT
SCHEMBL3344400 0.79 MEN1 (0.43) SMN1; SMN2MAPK1MAPTKMT2AALDH1A1
SCHEMBL3350815 0.79 STK17A (0.45) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL3451165 0.78 NPC1 (0.51) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL1918121 0.78 KMT2A (0.52) SMN1; SMN2NPC1RAB9AMAPK1MAPT
SCHEMBL4024004 0.77 CA2 (0.64) SMN1; SMN2NPC1RAB9AIGF1RPIK3CA
SCHEMBL13311436 0.76 PIM2 (0.46) SMN1; SMN2NPC1RAB9AMAPK1MAPT
SCHEMBL3451191 0.76 ULK1 (0.45) SMN1; SMN2MAPK1MAPTKMT2AALDH1A1

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SMN1; SMN2 3328/4885NPC1 603/4885RAB9A 2449/4885

“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.