SCHEMBL16064902

SCHEMBL16064902

CNc1nnc(C(F)(F)F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25886405 0.87
SCHEMBL30989693 0.80
SCHEMBL25887026 0.80
SCHEMBL24457884 0.78 KDM4E (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL29549517 0.77 HSP90AA1 (0.36) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL17688783 0.77 HSP90AA1 (0.36) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL30989647 0.73
SCHEMBL25886510 0.73
SCHEMBL25428597 0.73 L3MBTL1 (0.34) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3206924 0.73 NT5E (0.32)

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed
CN-118955472-A 2- (Hetero) aryl substituted fused heterocyclic derivatives as pesticides 拜耳作物科学股份公司 2024-11-15 CN disclosed
US-12134612-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA CROP PROTECTION AG (CH) 2024-11-05 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
CN-114524819-A Pesticidally active polycyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2022-05-24 CN disclosed
EP-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 EP disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 WO disclosed
WO-2016116338-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 WO disclosed
WO-2016116338-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 WO disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-01-28 US disclosed
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-01-28 US disclosed
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975039-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING FUSED HETEROCYCLIC COMPOUND, AND METHOD FOR USING AGRICULTURAL AND HORTICULTURAL INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2016-01-20 EP disclosed
WO-2014142292-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING FUSED HETEROCYCLIC COMPOUND, AND METHOD FOR USING AGRICULTURAL AND HORTICULTURAL INSECTICIDE 日本農薬株式会社 (JP) 2014-09-18 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 (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-12134612-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR HPGD 2393/4885MEN1 975/4885ALDH1A1 1105/4885
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE H1-0, HDHD5, H1-3 HPGD 1887/4885MEN1 1445/4885ALDH1A1 1155/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A HPGD 2376/4885MEN1 82/4885ALDH1A1 2190/4885

“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.