SCHEMBL5578321

SCHEMBL5578321

CCOCc1nc(-c2n[nH]cc2NC(=O)c2c(F)cccc2F)[nH]c1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
BCL3 P20749 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
NTRK1 P04629 1/20 0.33
PRKCG P05129 1/20 0.33

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 0.88 CDK2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5578093 0.81 BCL3 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14511673 0.78 LMNA (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5578184 0.76 MEN1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5578119 0.74 SMN1; SMN2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5578113 0.74 MEN1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5578476 0.74 KMT2A (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5578169 0.73 KMT2A (0.46) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL5578095 0.73 MAPT (0.40) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5578102 0.73 MAPT (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 ALDH1A1 1875/4885NPC1 1220/4885RAB9A 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.