SCHEMBL923044

SCHEMBL923044

Nc1ncccc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
ROCK1 Q13464 1/20 0.53
EGLN1 Q9GZT9 1/20 0.52
NSD2 O96028 1/20 0.51
HPGD P15428 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL920343 0.93 KMT2A (0.61) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL12352271 0.91 KMT2A (0.59) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL1681107 0.91 KMT2A (0.59) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL921923 0.88 EGLN1 (0.57) KMT2AROCK1EGLN1NSD2
SCHEMBL27824616 0.87 NSD2 (0.56) KMT2ALMNAEGLN1NSD2HPGD
SCHEMBL921272 0.87 MT-CO2 (0.54) KMT2ALMNAEGLN1NSD2HPGD
SCHEMBL922492 0.87 NSD2 (0.66) KMT2ALMNAL3MBTL1EGLN1NSD2
SCHEMBL1585240 0.86 SMN1; SMN2 (0.53) KMT2AL3MBTL1MAPT
SCHEMBL921161 0.86 HPGD (0.56) KMT2ACYP1A2CYP2C19LMNANSD2
SCHEMBL920122 0.86 HPGD (0.68) KMT2ACYP1A2CYP2C19LMNAL3MBTL1

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-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 US disclosed
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KMT2A 2469/4885CYP1A2 2625/4885CYP2C19 3323/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 KMT2A 1654/4885CYP1A2 4539/4885CYP2C19 4455/4885

“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.