SCHEMBL4856880

SCHEMBL4856880

COc1cc(Cl)ccc1-c1nnc(C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 4/20 0.49
ANO1 Q5XXA6 1/20 0.49
ANO2 Q9NQ90 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
LRRK2 Q5S007 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
NOTUM Q6P988 1/20 0.44
GRM7 Q14831 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL12918690 0.84 GUSB (0.49) GUSBALDH1A1LMNAHPGDKDM4E
SCHEMBL430455 0.81 ALDH1A1 (0.47) GUSBALDH1A1LMNAHPGDKDM4E
SCHEMBL16442405 0.81 IMPDH2 (0.49) GUSBALDH1A1LMNAHPGDKDM4E
SCHEMBL4281887 0.81 GUSB (0.60) GUSBALDH1A1LMNABRD4
SCHEMBL430069 0.78 ALDH1A1 (0.44) GUSBALDH1A1LMNAHPGDKDM4E
SCHEMBL31276643 0.78 NOTUM (0.47) ALDH1A1LMNAHPGDKDM4EHSD17B10
SCHEMBL13393606 0.77 BRD4 (0.63) ANO1ANO2ALDH1A1LMNAHPGD
SCHEMBL15650615 0.76 LRRK2 (0.51) GUSBANO1ANO2ALDH1A1LMNA
SCHEMBL4850237 0.75 NOTUM (0.65) GUSBALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL1425731 0.72 ELANE (0.44) GUSBANO1ANO2ALDH1A1HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 GUSB 3658/4885ANO1 3593/4885ANO2 3259/4885

“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.