SCHEMBL5578291

SCHEMBL5578291

Cc1[nH]c(-c2nn(C3CCCCO3)cc2NC(=O)OCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
BRAF P15056 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33
PTGER1 P34995 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
SCHEMBL14511713 0.79 CCNA2 (0.38) ABL1BRAFMEN1MAPTKMT2A
SCHEMBL5578296 0.77 NPC1 (0.41) ELANENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30496521 0.77 CYP1A2 (0.40) ELANENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5578229 0.77 NPC1 (0.42) ELANENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5578485 0.76 NPC1 (0.41) ELANENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL14511710 0.76 ABL1 (0.40) ABL1
SCHEMBL5578227 0.76 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2MEN1
SCHEMBL5819657 0.74 ABL1 (0.37) ABL1BRAF
SCHEMBL5578468 0.70 PDE2A (0.33) ABL1BRAF
SCHEMBL3922614 0.69 BRD4 (0.43) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A

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 3 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
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 ELANE 4772/4885NPC1 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.