SCHEMBL3399510

SCHEMBL3399510

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccccc3COC)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.35
WEE1 P30291 3/20 0.35
TLR8 Q9NR97 4/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APLNR P35414 1/20 0.32
GRK6 P43250 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL2295621 0.87 CYP1A2 (0.33) CHEK1WEE1TLR8MAPTCNR2
SCHEMBL2300170 0.85 TLR8 (0.38) CHEK1WEE1TLR8CNR2
SCHEMBL2297735 0.85 TLR8 (0.39) CHEK1WEE1TLR8CNR2HTT
SCHEMBL2300163 0.83 SMN1; SMN2 (0.32) TP53MAPTSMN1; SMN2
SCHEMBL2300121 0.82 TGFBR1 (0.36) TLR8TP53APLNR
SCHEMBL4114788 0.82 CASP1 (0.34) CHEK1WEE1TLR8TP53MAPT
SCHEMBL2299695 0.82 PSEN1 (0.36) CHEK1WEE1TLR8MAPTCNR2
SCHEMBL2301220 0.82 AGTR1 (0.42)
SCHEMBL2298814 0.82 KDM4E (0.42) TLR8TP53MAPTCNR2TSHR
SCHEMBL2301194 0.81 PPARG (0.40) CHEK1WEE1TLR8MAPTCNR2

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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 CHEK1 337/4885WEE1 3750/4885TLR8 4623/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CHEK1 259/4885WEE1 3898/4885TLR8 4634/4885

“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.