SCHEMBL987734

SCHEMBL987734

OCc1c(N2CCOCC2)nc(Cl)nc1C1(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NUDT1 P36639 1/20 0.35
SLC29A1 Q99808 1/20 0.35
PIK3CA P42336 6/20 0.34
PIK3R1 P27986 3/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
MTOR P42345 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX3 P56373 1/20 0.31
MEN1 O00255 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
SCHEMBL983126 0.78 MTOR (0.30) MTOR
SCHEMBL18156608 0.70 SMN1; SMN2 (0.44) SMN1; SMN2NUDT1SLC29A1PIK3CAPIK3R1
SCHEMBL13828670 0.69 SMN1; SMN2 (0.46) SMN1; SMN2NUDT1SLC29A1PIK3CAPIK3R1
SCHEMBL2708111 0.68 MTOR (0.53) SMN1; SMN2LMNAMAPTHTTMTOR
SCHEMBL7930954 0.67 SMN1; SMN2 (0.49) SMN1; SMN2SLC29A1POLBLMNAMAPT
SCHEMBL985479 0.67 SMN1; SMN2 (0.39) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL2708165 0.66 MTOR (0.55) SMN1; SMN2SLC29A1LMNAMAPTHTT
SCHEMBL4973147 0.66 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAPIK3R1POLBLMNA
SCHEMBL2707474 0.65 MTOR (0.42) SMN1; SMN2LMNAMAPTHTTMTOR
SCHEMBL25391427 0.65 SLC29A1 (0.41) SMN1; SMN2SLC29A1PIK3CAPIK3R1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-24 US claimed
EP-3298000-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS Bayer CropScience Aktiengesellschaft (DE) 2018-03-28 EP claimed
WO-2016184941-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-24 WO claimed
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
EP-3298000-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS Bayer CropScience Aktiengesellschaft (DE) 2018-03-28 EP disclosed
WO-2016184941-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-24 WO disclosed
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 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-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS MTOR, RICTOR, DEPTOR SMN1; SMN2 3777/4885NUDT1 740/4885SLC29A1 1577/4885
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS CBR3, CYP51A1, CBR1 SMN1; SMN2 4091/4885NUDT1 599/4885SLC29A1 1170/4885

“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.