SCHEMBL3781213

SCHEMBL3781213

COc1cnc2cccc(C(O)CN3CCC(NCC4=CC5=CNSN5C=C4)C(F)C3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.38
KCNH2 Q12809 6/20 0.36
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL3771621 0.89 SLC2A1 (0.47) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL5263326 0.85 SLC2A1 (0.36) SLC2A1KCNH2KDM4ELMNAGLA
SCHEMBL5262592 0.83 SLC2A1 (0.37) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3781214 0.79 KCNH2 (0.47) SLC2A1KCNH2
SCHEMBL13014349 0.78 KCNH2 (0.41) SLC2A1KCNH2JAK2JAK1TYK2
SCHEMBL4760024 0.78 KCNH2 (0.57) KCNH2
SCHEMBL3784360 0.77 KCNH2 (0.62) SLC2A1KCNH2
SCHEMBL3771391 0.76 KCNH2 (0.40) SLC2A1KCNH2JAK2JAK1TYK2
SCHEMBL3771385 0.76 KCNH2 (0.40) SLC2A1KCNH2JAK2JAK1TYK2
SCHEMBL3780492 0.75 KCNH2 (0.41) SLC2A1KCNH2JAK2JAK1TYK2

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B SLC2A1 4605/4885KCNH2 3216/4885JAK2 4772/4885

“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.