SCHEMBL4854789

SCHEMBL4854789

COc1cc(Cl)ccc1Cn1ccnc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
F2 P00734 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90B1 P14625 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL27516715 0.82 KCNH2 (0.52) KCNH2LMNAL3MBTL1CYP2D6TSHR
SCHEMBL5415267 0.80 KCNH2 (0.50) KCNH2LMNAL3MBTL1CYP2D6TSHR
SCHEMBL27541351 0.80 KCNH2 (0.50) KCNH2F2HSP90AA1HSP90B1LMNA
SCHEMBL15929449 0.80 ALDH1A1 (0.51) KCNH2HSP90AA1HSP90B1LMNATSHR
SCHEMBL28245281 0.80 KCNH2 (0.55) KCNH2LMNAL3MBTL1CYP2D6TSHR
SCHEMBL2950629 0.74 LMNA (0.71) KCNH2LMNAL3MBTL1CYP2D6CYP2C19
SCHEMBL27541363 0.74 LMNA (0.50) KCNH2LMNAL3MBTL1CYP2D6TSHR
SCHEMBL4857301 0.73 PDE4B (0.55) KCNH2LMNAKDM4C
SCHEMBL4858800 0.73 MEN1 (0.60)
SCHEMBL27517353 0.73 LMNA (0.53) KCNH2LMNAL3MBTL1

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 2 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-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 KCNH2 2535/4885F2 3937/4885HSP90AA1 888/4885

“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.