SCHEMBL1773574

SCHEMBL1773574

C#Cc1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CCR1 P32246 1/20 0.44
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SPR P35270 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL25757623 0.91 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL1773959 0.89 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL20801744 0.88 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1228464 0.86 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL3681642 0.85 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL121172 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL2509441 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
Hydrochloric Acid SCHEMBL1228510 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL13523714 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL1773839 0.85 POLB (0.44) GAACCR1LMNAKDM4EPOLB

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-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
US-7943774-B2 Heterocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 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 (3 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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 GAA 234/4885CCR1 939/4885LMNA 2778/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 GAA 209/4885CCR1 1075/4885LMNA 2482/4885
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents CYP8B1, CYP51A1, HPD GAA 217/4885CCR1 2946/4885LMNA 1065/4885

“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.