SCHEMBL5578081

SCHEMBL5578081

CCOC(=O)c1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)n(O)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR1 P11362 1/20 0.32
DDR2 Q16832 1/20 0.32
PIM1 P11309 1/20 0.32
HTT P42858 1/20 0.32
BRAF P15056 1/20 0.32
CRACR2A Q9BSW2 3/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31

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
SCHEMBL5578327 0.88 ABL1 (0.39) ABL1IRAK4FGFR1DDR2PIM1
SCHEMBL14511704 0.86 CNR1 (0.37) ABL1IRAK4NPC1RAB9ACRACR2A
SCHEMBL8273357 0.76 CCNA2 (0.39) ABL1MAPTIRAK4NPC1RAB9A
SCHEMBL3579675 0.74 CDK2 (0.40) ABL1TP53MAPTSMN1; SMN2NPC1
SCHEMBL5578320 0.74 ABL1 (0.37) ABL1MAPTFGFR1DDR2PIM1
SCHEMBL14511713 0.73 CCNA2 (0.38) ABL1MAPTIRAK4FGFR1DDR2
SCHEMBL3589567 0.73 CDK2 (0.40) ABL1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL3583086 0.71 CDK2 (0.39) ABL1MAPTNPC1RAB9APIM1
SCHEMBL1645038 0.71 CDK2 (0.40) ABL1TP53MAPTSMN1; SMN2NPC1
SCHEMBL14511688 0.71 BRAF (0.32) ABL1MAPTIRAK4BRAFMEN1

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 ABL1 511/4885TP53 359/4885MAPT 1133/4885

“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.