SCHEMBL16653249

SCHEMBL16653249

C#CC(C)N(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C19 P33261 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
BRAF P15056 1/20 0.36
PAX8 Q06710 1/20 0.34

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
SCHEMBL290442 0.89 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL16653306 0.86 CYP3A4 (0.50) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL16660133 0.82 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL15047295 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL290486 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL16660151 0.79 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL17629275 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL290376 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL13048198 0.79 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19LMNAKDM4E
SCHEMBL13048421 0.78 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
EP-3062619-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-07 EP disclosed
WO-2015061151-A9 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2016-04-21 WO disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
WO-2015061151-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 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 (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-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 CYP1A2 1739/4885CYP3A4 2564/4885CYP2C19 1587/4885

“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.