SCHEMBL6855709

SCHEMBL6855709

c1ccc(-c2cncc3sccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.50
AURKA O14965 3/20 0.50
DAPK3 O43293 3/20 0.50
CHEK2 O96017 3/20 0.50
CDK1 P06493 3/20 0.50
PIM1 P11309 3/20 0.50
CDK2 P24941 3/20 0.50
MAPK9 P45984 3/20 0.50
CSNK1D P48730 3/20 0.50
GSK3A P49840 3/20 0.50
GSK3B P49841 3/20 0.50
CSNK2A1 P68400 3/20 0.50
DYRK1A Q13627 3/20 0.50
AURKB Q96GD4 3/20 0.50
PLK3 Q9H4B4 3/20 0.50
PIM2 Q9P1W9 3/20 0.50
PRKACA P17612 2/20 0.50
RPS6KA3 P51812 2/20 0.50
SGK2 Q9HBY8 2/20 0.50
FLT4 P35916 2/20 0.48

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
SCHEMBL5555013 0.89 MAP3K8 (0.57) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL7059724 0.80 PTGS1 (0.43) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL4315241 0.75 ADRA2A (0.49) AURKBKDRCSF1RFGFR1MAPK1
SCHEMBL25238442 0.74 AURKB (0.47) AURKADYRK1AAURKBKDRICAM1
SCHEMBL5550198 0.73 MAP3K8 (0.57) PIM1MAP3K8ICAM1SELEVCAM1
SCHEMBL9749622 0.71 ALOX5 (0.46) CSNK2A1ADRA2AADRA2BPDPK1ALOX5
SCHEMBL21295694 0.70 ALOX5 (0.37) ADRA2AADRA2BPDPK1ALOX5ADORA2A
SCHEMBL28744574 0.70 ADRA2A (0.45) ADRA2AADRA2BALOX5ALDH1A1HPGD
SCHEMBL25230677 0.70 MAP3K7 (0.47) AURKBKDRADRA2AADRA2BICAM1
SCHEMBL21803740 0.70 CYP11B1 (0.41) CSNK2A1ADRA2AADRA2BICAM1SELE

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-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
US-4550106-A ANTIDEPRESSANTS BOEHRINGER INGELHEIM KG (DE) 1985-10-29 US disclosed
US-4482559-A ANTIDEPRESSANT BOEHRINGER INGELHEIM KG (DE) 1984-11-13 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PLK4 304/4885AURKA 261/4885DAPK3 318/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PLK4 304/4885AURKA 261/4885DAPK3 318/4885

“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.