SCHEMBL21370627

SCHEMBL21370627

CCS(=O)(=O)c1cnc(-c2ncccn2)nc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 5/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ CETP P11597 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SLC47A1 Q96FL8 1/20 0.33
▸ PTPN5 P54829 3/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ HSPD1 P10809 2/20 0.32
▸ HSPE1 P61604 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRKDC P78527 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ATR Q13535 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
SCHEMBL29431651 0.86 UTRN (0.42) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL15858544 0.86 UTRN (0.42) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL21370753 0.84 UTRN (0.43) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL18819696 0.81 UTRN (0.48) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL32678416 0.81 UTRN (0.39) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL15847433 0.81 UTRN (0.39) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL29431577 0.81 UTRN (0.39) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL16375379 0.81 UTRN (0.40) UTRNHDAC6CYP1A2AHRMAOB
SCHEMBL19302015 0.80 UTRN (0.37) UTRNHDAC6CYP1A2AHRCETP
SCHEMBL15616827 0.79 UTRN (0.47) UTRNHDAC6CYP1A2AHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766881-A1 HETEROARYL PYRIMIDINE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2021-01-20 — — EP disclosed
US-20210002263-A1 HETEROARYLPYRIMIDINE COMPOUND AND FORMULATION FOR CONTROLLING HARMFUL ORGANISMS NIPPON SODA CO., LTD. (JP) 2021-01-07 — — US disclosed
WO-2019176791-A1 HETEROARYL PYRIMIDINE COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2019-09-19 — — WO 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-20210002263-A1 HETEROARYLPYRIMIDINE COMPOUND AND FORMULATION FOR CONTROLLING HARMFUL ORGANISMS CBR3, RRBP1, RRP15 UTRN 3528/4885HDAC6 174/4885CYP1A2 371/4885

“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.

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