SCHEMBL6736259

SCHEMBL6736259

C#CCOc1cc(NN)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
EGFR P00533 2/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
NR1I2 O75469 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TACR2 P21452 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 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
Hydrochloric Acid SCHEMBL6831304 0.98 PGK1 (0.43) PGK1LMNAHPGDTSHREGFR
SCHEMBL8566851 0.86 PGK1 (0.47) PGK1LMNAHPGDTSHRHTR2C
Hydrochloric Acid SCHEMBL8688739 0.84 PGK1 (0.46) PGK1LMNAHPGDTSHRHTR2C
SCHEMBL8415850 0.84 NR1I2 (0.41) PGK1LMNAHPGDEGFRHTR2C
SCHEMBL4592760 0.83 PGK1 (0.43) PGK1LMNAHPGDTSHREGFR
SCHEMBL17197232 0.82 LMNA (0.41) PGK1LMNAHPGDTSHREGFR
SCHEMBL24337150 0.81 PGK1 (0.41) PGK1LMNAHPGDTSHRHTR2C
SCHEMBL16774348 0.81 MAOB (0.49) PGK1LMNAHPGDTSHREGFR
SCHEMBL7754767 0.79 SRC (0.33) PGK1LMNAHPGDTSHREGFR
SCHEMBL8998078 0.78 CYP2B6 (0.44) PGK1LMNATSHREGFRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
WO-2015158853-A1 NOVEL NITRIFICATION INHIBITORS BASF SE (DE) 2015-10-22 WO disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 WO disclosed
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP disclosed
EP-0202169-B1 NEW PYRAZOLE DERIVATIVES, THEIR PRODUCTION AND USES HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-11-19 EP disclosed
US-4752326-A 1-arylpyrazoles, composition containing them, and herbicidal method of using them HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1988-06-21 US disclosed
EP-0202169-A1 New pyrazole derivatives, their production and uses HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1986-11-20 EP 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 (5 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 PGK1 1520/4885LMNA 4523/4885HPGD 721/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT PGK1 2090/4885LMNA 4763/4885HPGD 1886/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 PGK1 2111/4885LMNA 4671/4885HPGD 2752/4885
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 PGK1 1962/4885LMNA 3420/4885HPGD 2371/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 PGK1 2519/4885LMNA 4565/4885HPGD 2783/4885

“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.