SCHEMBL4926477

SCHEMBL4926477

O=[N+]([O-])c1[c]c(F)ncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 2/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
CASP6 P55212 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSB P07858 1/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PIK3CA P42336 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
SCHEMBL2890918 0.78 MEN1 (0.35) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL4927010 0.76 SMN1; SMN2 (0.35) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL10770364 0.76 MAPT (0.38) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL4927715 0.76 KMT2A (0.38) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL4927318 0.68 KDM4E (0.34) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL2350187 0.67 TSHR (0.38) ALDH1A1TDP1LMNAATM
SCHEMBL147156 0.67 HIF1A (0.39) ALDH1A1TDP1POLBLMNACASP6
SCHEMBL1322641 0.66
SCHEMBL58486 0.66 TSHR (0.46) ALDH1A1KMT2ATDP1LMNAGAA
SCHEMBL6047877 0.65 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
WO-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 KDM4E 2146/4885MEN1 1808/4885ALDH1A1 1649/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 KDM4E 4114/4885MEN1 3812/4885ALDH1A1 2419/4885

“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.