SCHEMBL5578093

SCHEMBL5578093

O=C(Nc1c[nH]nc1-c1nc(CN2CCOCC2)c(Cc2ccccc2)[nH]1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 4/20 0.47
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK2 P24941 4/20 0.38
AURKA O14965 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
AURKB Q96GD4 3/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FLT3 P36888 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL5578455 0.84 CDK2 (0.37) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5578138 0.84 BCL3 (0.45) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5578321 0.81 ALDH1A1 (0.36) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1645610 0.81 AURKA (0.52) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1644911 0.80 BCL3 (0.46) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14511677 0.80 BCL3 (0.40) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1645788 0.78 GRIN2B (0.54) BCL3ALDH1A1TP53MAPTCDK2
SCHEMBL1645832 0.76 AURKA (0.49) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13446026 0.76 AURKA (0.49) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5578475 0.76 PARP1 (0.42) BCL3ALDH1A1RAB9ANPC1KDM4E

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 BCL3 2401/4885ALDH1A1 1875/4885RAB9A 4050/4885

“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.