SCHEMBL16625709

SCHEMBL16625709

CONC(=O)c1nn(-c2ccc(C)cc2F)cc(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.39
MAP2K1 Q02750 3/20 0.38
MAPK14 Q16539 1/20 0.37
MAP2K2 P36507 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR7 P34969 1/20 0.35
KLKB1 P03952 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 1/20 0.34
PDE10A Q9Y233 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL16627449 0.89 MEN1 (0.43) MAP2K1KMT2AMEN1POLBTDP1
SCHEMBL13559029 0.89 MAP2K1 (0.41) METMAP2K1MAPK14MAP2K2CYP1A2
SCHEMBL16625710 0.88 ALDH1A1 (0.44) METMAP2K1MAP2K2KMT2AMEN1
SCHEMBL10258726 0.86 MET (0.48) METPDE10A
SCHEMBL16625711 0.84 L3MBTL1 (0.41) METMAP2K1MAP2K2KMT2AMEN1
SCHEMBL13557942 0.79 MEN1 (0.49) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL16627462 0.77 KMT2A (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10258426 0.77 CYP1A2 (0.40) METMAP2K1MAP2K2KMT2ACYP1A2
SCHEMBL13558506 0.76 MAP2K1 (0.40) MAP2K1MAP2K2KMT2AMEN1POLB
SCHEMBL14615218 0.75 MAP2K1 (0.45) METMAP2K1MAP2K2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MET 4749/4885MAP2K1 1195/4885MAPK14 1968/4885

“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.