SCHEMBL601548

SCHEMBL601548

CC(=O)Nc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
KCNMA1 Q12791 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 1/20 0.44
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL30625900 1.00 KMT2A (0.50) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL9185883 0.88 KMT2A (0.56) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL4725431 0.85 TDP1 (0.46) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL4725420 0.85 TDP1 (0.46) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL5144247 0.82 KCNMA1 (0.63) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL30388557 0.82 KCNMA1 (0.63) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL249599 0.82 KCNMA1 (0.56) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL10129547 0.81 GAA (0.48) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL9872830 0.81 MEN1 (0.50) KMT2AMEN1POLBL3MBTL1PKM
SCHEMBL3412286 0.81 MEN1 (0.50) KMT2AMEN1POLBL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813480-A Preparation method of 2-fluoro-6-nitroaniline 爱斯特(成都)生物制药股份有限公司 2023-09-29 CN claimed
CN-116813480-A Preparation method of 2-fluoro-6-nitroaniline 爱斯特(成都)生物制药股份有限公司 2023-09-29 CN disclosed
CN-116813480-A Preparation method of 2-fluoro-6-nitroaniline 爱斯特(成都)生物制药股份有限公司 2023-09-29 CN disclosed
EP-2475648-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2012-07-18 EP disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
EP-2419423-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS Cellzome Limited (GB) 2012-02-22 EP disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 KMT2A 1056/4885MEN1 3289/4885POLB 3015/4885
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 KMT2A 596/4885MEN1 487/4885POLB 237/4885
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 KMT2A 1909/4885MEN1 4276/4885POLB 1849/4885

“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.